Unit 1 Quantum Theory of Collisions
Unit 1 Quantum Theory of Collisions
Unit 1 Quantum Theory of Collisions
‘Theory of Atomic Collisions and Spectroscopy’
P. C. Deshmukh
Department of Physics
Indian Institute of Technology Madras
Chennai 600036
Lecture Number 02
Unit 1: Quantum Theory of Collisions
Primary Reference:
Quantum Theory of
Collisions (Chapters-1,2,3,4)
by
Charles J Joachain
dθ (North-Holland Publishing Co.)
PCD STiTACS Unit 1 Quantum Theory of Collisions 1
Detector
Incident beam of
Monoenergetic
particles
Target
S = ‘effective’
cross-section area of the incident beam
nB : number of target particles B that intercept the incident beam
N A : Number of particles A reaching the target
per unit time Φ A = Flux of A w.r.t. target B
number of particles A x-ing per unit time per unit area
normal to incident beam (T )( L )
−1 −2
NA
incident flux, Φ A =
S
nB : number of target particles B that intercept the incident beam
N Int α nB
ΦA
N Int α Φ A nB
What should be the dimensions of the
proportionality? P× NA
N Int = σ tot × Φ A nB L2 σ tot = ( )
Φ A nB
Scattering cross section
“tendency” of particles
effective target area that interacts with A & B to interact
the incident beam and scatters it PCD STiTACS Unit 1 Quantum Theory of Collisions 5
cross-section =
number of events per unit time per unit scatterer
=
flux of the incident particles w.r.t. the target
↑x L
P × NA
↑ σ tot = ↑
Φ A nB dΩ L
P × NA
dθ
σ tot = 1 barn = 10−24 cm 2 ;
Φ A nB
cross-section = 1 Mega -barn = 1Mb = 10−18 cm 2
solid êϕ δ S = r 2δ Ω
angl e
δΩ
ki eˆr × eˆθ = eˆϕ
θ
ik i r ikr cosθ i ρμ
ψ inc (r ) = e =e =e
with ρ = kr & μ = cos θ
∞ +l ∞
e ik i r
=∑ ∑c Y (rˆ) jl ( ρ ) = ∑ al Pl ( cos θ ) jl ( ρ )
l ,m l
m
l =0 m =− l l =0
∞
eiρμ = ∑ al Pl ( μ ) jl ( ρ )
l =0
al = ?
PCD STiTACS Unit 1 Quantum Theory of Collisions
9
∞
i ρμ
e = ∑ al Pl ( μ ) jl ( ρ )
l =0
+1
i ρμ ⎡
∞ +1
⎤
∫ e Pl ' ( μ ) d μ = ∑ al ⎢ ∫ Pl ( μ ) Pl ' ( μ ) d μ ⎥ jl ( ρ )
−1 l =0 ⎣ −1 ⎦
∞
⎡ 2 ⎤
= ∑ al ⎢ δ l 'l ⎥ jl ( ρ ) Orthogonality
l =0 ⎣ 2l + 1 ⎦ of the
Legendre
⎡ 2 ⎤
= al ' ⎢ ⎥ jl ' ( ρ ) polynomials
⎣ 2l '+ 1 ⎦
+1
i ρμ ⎡ 2 ⎤
∫ e Pl ( μ ) d μ = al ⎢ ⎥ jl ( ρ )
−1 ⎣ 2l + 1 ⎦
iρ l −i ρ
+1
i ρμ
e Pl ( μ ) d μ =
e − ( −1 ) e 1
+1
i ρμ
∫ − ∫ l
P '
( μ ) e dμ
−1
iρ iρ −1 11
PCD STiTACS Unit 1 Quantum Theory of Collisions
iρ
+1
− ( −1) e−i ρ 1 +1
l
e
∫ ei ρμ Pl ( μ ) d μ = − ∫ l
P '
( μ ) e i ρμ
dμ
−1
iρ iρ −1
+1
e iρ
− ( −1) e
l −i ρ Ο(ρ2 )
i ρμ
⇒ ∫ e Pl ( μ ) d μ =
−1
iρ ignorable
+1
i ρμ ⎡ 2 ⎤ as ρ → ∞
we had: ∫ e Pl ( μ ) d μ = al ⎢ ⎥ jl ( ρ )
−1 ⎣ 2l + 1 ⎦
iρ −i ρ
− ( −1) e
l
⎡ 2 ⎤ e
al ⎢ ⎥ jl ( ρ ) =
⎣ 2l + 1 ⎦ iρ = (e )
ilπ iπ l
e = (−1)l
⎡ iρ − i l2π lπ
⎤
e 2
= ⎜ e ⎟ = il
2 −i ρ
⎝ ⎠
lπ i
⎡ 2 ⎤ i
⎢ e e − e e ⎥
al ⎢ j ( ρ ) = e 2
⎣ 2l + 1 ⎥⎦ ⎢ iρ ⎥
l
⎣⎢ ⎦⎥
⎡ i ⎛⎜ ρ − l2π ⎞⎟ − i ⎛⎜ ρ − lπ ⎞⎟ ⎤
⎡ ⎛ lπ ⎞⎤
⎢ 2 i sin ⎜ ρ − ⎟⎥
⎡ 2 ⎤ l ⎢e
⎝ ⎠
−e ⎝ 2⎠⎥ l ⎝ 2 ⎠⎥
al ⎢ ⎥ jl ( ρ ) = i ⎢ ⎥ =i ⎢
⎣ 2l + 1 ⎦ iρ ⎢ iρ ⎥
⎢⎣ ⎥⎦
⎢⎣ ⎥⎦
i ρμ
∞ We got al from ρ → ∞, but it is
e = ∑ al Pl ( μ ) jl ( ρ )
l =0
valid for all ρ since al ≠ fn( ρ ).
∞
i ρμ
⇒ e = ∑ i l ( 2l + 1) Pl ( μ ) jl ( ρ )
l =0
∞
i.e. eikr cosθ = ∑ i l ( 2l + 1) Pl ( cos θ ) jl (kr )
l =0
PCD STiTACS Unit 1 Quantum Theory of Collisions
14
( kˆ , rˆ )
∞
eikr cosθ = ∑ i l ( 2l + 1) Pl ( cos θ ) jl (kr ) θ = i
l =0
lπ
sin( kr − )
ψ inc (r ; r → ∞) → ∑ i l (2l + 1) Pl (cos θ ) 2
l kr
⎛ lπ ⎞ ⎛ lπ ⎞
i ⎜ kr − ⎟ − i ⎜ kr − ⎟
e ⎝ 2⎠
−e ⎝ 2⎠
ψ inc (r ) → ∑ i (2l + 1) Pl (cos θ )
l
r →∞ 2ikr
l
lπ π l
i ⎛ i2 ⎞
e 2
= ⎜ e ⎟ = il
lπ lπ
⎝ ⎠ +i +i
eikr − e − ikr e 2
e 2
ψ inc (r ) → ∑ (2l + 1) Pl (cos θ )
r →∞ 2ikr
l
PCD STiTACS Unit 1 Quantum Theory of Collisions
16
⎡ ik i r f (Ωˆ ) ikr ⎤
ψ ki (r ; r → ∞) → A ⎢e + e ⎥
⎣ r ⎦
lπ lπ
+i +i
eikr − e − ikr e 2
e 2
ψ inc (r ) → ∑ (2l + 1) Pl (cos θ )
r →∞ 2ikr
l
= (e ) = ( −1)
ilπ iπ l l
e
e − e ( −1) − ikr
ikr l
⎡ ik i r f (Ωˆ ) ikr ⎤
ψ ki (r ; r → ∞) → A ⎢e + e ⎥
⎣ r ⎦
th
δ l : phase shift of the partial wave
ψ Tot ( r ) →
r →∞
1
∑
2ikr l
⎡
cl (2l + 1) ⎣ Pl (cos θ )e
i ( kr +δ l )
− Pl (− cos θ )e
− i ( kr +δ l )
⎤
⎦
Please refer to details from :
PCD STiAP Unit 6 Probing the Atom
Lecture link: http://nptel.iitm.ac.in/courses/115106057/27 & /28 & /29 & /30
PCD STiTACS Unit 1 Quantum Theory of Collisions 19
ψ Tot ( r ) →
r →∞
1
∑
2ikr l
⎡
cl (2l + 1) ⎣ Pl (cos θ )e
i ( kr +δ l )
− Pl (− cos θ )e
− i ( kr +δ l )
⎤
⎦
choice of normalization
cl depends on the boundary conditions
± iδ l
Please refer to details from :
PCD STiAP Unit 6 Probing the Atom cl = e
Lecture link: http://nptel.iitm.ac.in/courses/115106057/27 & /28 & /29 & /30
ψ Tot
+
( r , t ) ⎤⎦ → outgoing wave boundary conditions
ψ Tot
−
( r , t ) ⎤⎦ → ingoing wave boundary conditions
1 ∞
f (k ,θ ) = ∑
2ik l =0
( 2l + 1) ⎡⎣e 2 iδ l ( k )
− 1⎤⎦ Pl (cos θ )
Faxen-Holtzmark’s formalism
Each lth term gives the contribution of
th
the l partial wave to the scattering amplitude.
ψ Tot
+
( r , t ) ⎦⎤ r →∞ describes 'collisions'
+ i ( kr −ωt )
e ⎧ 1 ∞ ⎫
e + i( kz −ωt ) +
r
⎨ ∑
⎩ 2ik l =0
( 2l + 1) ⎡⎣e 2 iδ l ( k )
− 1⎤⎦ Pl (cos θ ) ⎬
⎭
− iδ l ( k )
cl = e
describes 'photoionization'
ψ −
Tot ( r , t ) ⎤⎦ r→
→∞
|ψ f 〉 → e −
e − ikr
ikz
r
∑ l
⎛ e − i 2δ l − 1 ⎞
(2l + 1) Pl (− cos θ ) ⎜
⎝ 2ik ⎠
⎟
+ i ( kr +ωt )
e ⎧ 1 ∞ ⎫
e + i ( kz +ωt )
+
r
⎨ ∑
⎩ 2ik l =0
( 2l + 1) ⎣e
⎡ 2 iδ l ( k )
− 1⎦ Pl (cos θ ) ⎬
⎤
⎭
Please refer to details from :
PCD STiAP Unit 6 Probing the Atom
Lecture link: http://nptel.iitm.ac.in/courses/115106057/27 & /28 & /29 & /30
PCD STiTACS
PCDUnit 1 Quantum
STfTACS Unit 1 Quantum Theory of Collisions 22
Theory of Collisions
Θ : operator for
ψ Tot
+
( r , t ) ⎤⎦ →
r →∞
TIME REVERSAL SYMMETRY
+ i ( kr −ωt )
e ⎧ 1 ∞ ⎫
e
+ i ( kz −ωt )
+
r
⎨ ∑
⎩ 2ik l =0
( 2l + 1) ⎣e
⎡ 2 iδ l ( k )
⎤
− 1⎦ Pl (cos θ ) ⎬
⎭
Θ[ collision
kˆi = eˆ z
]= photoionization
ψ Tot
−
( r , t ) ⎦⎤ r→
→∞
e (
ω)
+
+ i kz + t
+ i ( kr +ωt )
e ⎧ 1 ∞ ⎫
r
⎨ ∑
⎩ 2ik l =0
( 2l + 1)⎣
⎡ e 2 iδ l ( k )
− 1⎤
⎦ Pl (cos θ ) ⎬
⎭
Please refer to details from :
PCD STiAP Unit 6 Probing the Atom
Lecture link: http://nptel.iitm.ac.in/courses/115106057/27 & /28 & /29 & /30
PCD STiTACS Unit 1 Quantum Theory of Collisions 23
cl = e δi l (k )
'collisions'
⎡ iki i r f (Ωˆ ) ikr ⎤
ψ k (r ; r → ∞) r→
+
→∞
A(k ) ⎢e + e ⎥
i ⎣ r ⎦
1 ∞
f (k ,θ ) = ∑
2ik l =0
( 2l + 1)⎣
⎡ e 2 iδ l ( k )
− 1⎤⎦ Pl (cos θ )
U.Fano & A.R.P.Rau:
Theory of Atomic Collisions & Spectra
PHOTOIONIZATION & electron‐ion scattering have
Θ[ collision
kˆi = eˆ z
]= photoionization
ψ Tot
−
( r , t ) ⎦⎤ r→
→∞
e (
ω)
+
+ i kz + t
+ i ( kr +ωt )
e ⎧ 1 ∞ ⎫
r
⎨ ∑
⎩ 2ik l =0
( 2l + 1)⎣
⎡ e 2 iδ l ( k )
− 1⎤
⎦ Pl (cos θ ) ⎬
⎭
Please refer to details from :
PCD STiAP Unit 6 Probing the Atom
Lecture link: http://nptel.iitm.ac.in/courses/115106057/27 & /28 & /29 & /30
PCD STiTACS Unit 1 Quantum Theory of Collisions 27
⎡ iki i r f (Ωˆ ) ikr ⎤ ⎡ f (Ω
ˆ )⎤ → L
ψ k (r ; r → ∞) r→
+
→∞
A(k ) ⎢e + e ⎥ ⎣ ⎦
i ⎣ r ⎦ scattering amplitude
j (r ) = ⎡ψ * ( r ) ∇ψ ( r ) −ψ ( r ) ∇ψ * ( r ) ⎤ Probability
2mi ⎣ ⎦
⎧ ⎫ current density
= Re ⎨ ψ * ( r ) ∇ψ ( r ) ⎬ vector
⎩ mi ⎭
⎧ ⎫
incident
j ( r ) = Re ⎨
⎩ mi
* −iki z
A(k ) e
⎧ ∂
× ⎨eˆ x
⎩ ∂x
∂
∂y ∂
∂⎫
+ eˆ y +eˆ z ⎬ A(k )e
z ⎭
{
ikiz
⎬
⎭
}
2 ki
→ δ z ←
j ( r ) = A(k ) = A(k ) vi
incident 2
δ z
m
→ eˆz
→→ v i =
δt
δ Sδ z = δ V
2 δz 2 δV
j ( r ) ⋅ δ S = j ( r ) ⋅ δ Seˆz = A(k ) viδ S = A(k ) δ S = A(k )
incident 2
δt δt
current through area δ S 28
PCD STiTACS Unit 1 Quantum Theory of Collisions
⎡ iki i r f (Ωˆ ) ikr ⎤
ψ k (r ; r → ∞) r→
+
→∞
A(k ) ⎢e + e ⎥
i ⎣ r ⎦
ki
j ( r ) = A(k ) = A(k ) vi
incident 2 2
m
A(k ) = 1 → ⎡⎢ incidentψ = e i ⎤⎥
ik i r
⎣ ⎦ → δ z ←
δ z
Probability density → ψ *ψ = 1 vi =
→→ δt
ki
Current density: incident
j (r ) = = vi
m
δΦ through = incident j ( r ) ⋅ δ S = j ( r ) ⋅ δ Seˆz = v δ S = δ z δ S = δ V
incident
area δ S
i
δt δt
Density of particles: 1 particle per unit volume;
i.e. 1 particle x-sing unit area in unit time at velocity vi = vi eˆz
⎧ ⎫
j ( r ) = Re ⎨ ψ * ( r ) ∇ψ ( r ) ⎬
⎩ mi ⎭
scattered
⎪⎧ ⎡ f * (Ω
ˆ ) −ikr ⎤ ⎧ ∂ 1 ∂ 1 ˆ ) ikr ⎤ ⎪⎫
∂ ⎫ ⎡ f (Ω
j ( r ) = Re ⎨ A(k )
part 2
⎢ e ⎥ ⎨eˆ r +eˆ θ +eˆ ϕ ⎬⎢ e ⎥⎬
⎩⎪ mi ⎣ r ⎦ ⎩ ∂r r ∂θ r sin θ ∂ϕ ⎭ ⎣ r ⎦ ⎭⎪
scattered ⎧⎪ ⎡ f * (Ω
ˆ ) −ikr ⎤ ⎡ f (Ω
ˆ ) ikr ⎤ ⎫⎪
j ( r ) ≈ Re ⎨ A(k ) ⎥ eˆ r ( ik ) ⎢
part 2
⎢ e e ⎥ ⎬
⎩⎪2 mi ⎣ r ⎦ ⎣ r ⎦ ⎭⎪
k f (Ω)
ˆ
= A(k )
2
2
eˆ r
m r 30
PCD STiTACS Unit 1 Quantum Theory of Collisions
2
incident flux scattered f (Ω
ˆ)
k
j ( r ) = A(k )
part 2
per unit area: δΦ = A(k ) vi
i 2
2
eˆ r
m r
2
scattered
k f (Ω
ˆ)
δΦ = j ( r ) ⋅ δ Seˆr ≈ A(k ) eˆ r ⋅ δ Seˆr
s part 2
2
m r
⎡ f (Ω
ˆ )⎤ → L 2
⎣ ⎦ f (Ω
ˆ ) → L2
scattering amplitude
m r2
s
δΦ 2 dσ δσ 2
= ˆ ) δΩ
Ω = lim = f (Ω
ˆ)
2
?f ( f (Ω
ˆ ) : L2
i
δΦ d Ω δΩ→0 δΩ
scattering x-sec per unit solid angle This definition
differential x-sec is independent of
the normalization
PCD STiTACS Unit 1 Quantum Theory of Collisions 32
⎡ iki i r f (Ωˆ ) ikr ⎤ ⎡ f (Ω
ˆ )⎤ → L
ψ k (r ; r → ∞) r→
+
→∞
A(k ) ⎢e + e ⎥ ⎣ ⎦
i ⎣ r ⎦ scattering amplitude
j (r ) = ⎡ψ * ( r ) ∇ψ ( r ) −ψ ( r ) ∇ψ * ( r ) ⎤
2mi ⎣ ⎦
Probability
⎧ ⎫ ψ : total
current = Re ⎨ ψ * ( r ) ∇ψ ( r ) ⎬
density vector ⎩ mi ⎭ wave function
Radial ⎧ ⎡ −iki i r f * (Ω ˆ ) −ikr ⎤ ⎫
component ⎪
*
A(k ) ⎢ e + e ⎥× ⎪
⎪ mi ⎣ r ⎦ ⎪
of the j ( r ) ⋅ eˆr = Re ⎨ ⎬ ⋅ eˆr
probability ⎪⎧ ˆ ∂ 1 ∂ 1 ∂ ⎫ ⎧⎪ ⎡ iki i r f (Ω) ikr ⎤ ⎫⎪⎪
ˆ
⎪⎨ r ∂r
e + ˆ
e ˆ
+e ⎬⎨ A( k ) ⎢e + e ⎥ ⎬⎪
current θ
r ∂θ
ϕ
r sin θ ∂ϕ ⎭ ⎪⎩
density vector ⎩⎩ ⎣ r ⎦ ⎪⎭⎭
⎧⎪ 2 ⎛ −iki i r
ˆ )e−ikr
f * (Ω ⎞ ∂ ⎛ ik i r f (Ω
ˆ )eikr ⎞ ⎫⎪
j ( r ) ⋅ eˆr = Re ⎨ A(k ) ⎜ e + ⎟ ⎜e i + ⎟⎬
⎜ ⎟ ⎜ ⎟
⎩⎪
mi ⎝ r ⎠ ∂r ⎝ r ⎠ ⎭⎪
C.J.Joachain: Quantum Theory of Collisions Eq.3.34, p 51
33
PCD STiTACS Unit 1 Quantum Theory of Collisions
⎪⎧ 2 ⎛ −iki i r
ˆ )e−ikr
f * (Ω ⎞ ∂ ⎛ ik i r f (Ω
ˆ )eikr ⎞ ⎪⎫
j ( r ) ⋅ eˆr = Re ⎨ A(k ) ⎜ e + ⎟ ⎜e i + ⎟⎬
mi ⎜ r ⎟ ∂r ⎜ r ⎟
⎩⎪ ⎝ ⎠ ⎝ ⎠ ⎪⎭
⎧⎪ ⎡ −ik i r ∂ ⎛ f (Ω
ˆ )eikr ˆ )e−ikr ∂ ⎛ ik i r
⎞ f * (Ω ⎤ ⎫⎪
⎞⎥
A(k ) ⎢e i ⎟+
2
Re ⎨ ⎜ ⎜ e i ⎟ ⎬
⎢⎣ ⎜
∂r ⎝ ⎟ ∂r ⎝ ⎠ ⎥⎦ ⎪
⎪⎩ mi r ⎠ r
⎭
⎧⎪ 2 ⎡ −iki i r
ˆ )e−ikr
ˆ )eikr f * (Ω
f (Ω iki i r ⎤ ⎫ ⎪
= Re ⎨ A(k ) ⎢e ( )
ik + ( ik cos θ ) e ⎥⎬
⎩⎪
mi ⎢⎣ r r ⎥⎦ ⎭⎪
⎧⎪ ⎡ −ik i r ∂ ⎛ f (Ω ˆ )e−ikr ∂ ⎛ ik i r ⎫
ˆ )eikr ⎞ f * (Ω ⎞ ⎤⎥ ⎪
A(k ) ⎢e i ⎟+
2
Re ⎨ ⎜ ⎜ e i ⎟ ⎬
⎪⎩ mi ⎢⎣ ∂r ⎜⎝ r ⎟
⎠ r ∂r ⎝ ⎠ ⎥⎦ ⎪
⎭
⎧⎪ 2 ⎡ −iki i r
ˆ )e−ikr
ˆ )eikr f * (Ω
f (Ω iki i r ⎤ ⎫ ⎪
= Re ⎨ A(k ) ⎢e ( )
ik + ( ik cos θ ) e ⎥⎬
⎩⎪
mi ⎢⎣ r r ⎥⎦ ⎭⎪
⎛1⎞
Ο⎜ 2 ⎟ → ⎛1⎞
ignored w.r.t. Ο ⎜ ⎟
⎝ r ⎠ r →∞ ⎝r⎠
⎪⎧ ⎡ f (Ω
ˆ )eikr (1−cosθ ) ˆ )e−ikr (1−cosθ ) ⎤ ⎪⎫
f * (Ω
= Re ⎨ A(k ) ( ik ) ⎢ + cos θ
2
⎥⎬
⎪⎩ mi ⎢⎣ r r ⎥⎦ ⎪⎭
C.J.Joachain: Quantum Theory of Collisions Eq.3.39, p 51
θ ≈0
∫∫ j ( r ) ⋅ r 2 d Ωeˆr =
∫∫ { j ( ) + ( ) + ( )} ⋅ d Ωeˆr
2
= incident r joutgoing r jinterference r r
∫∫ j ( r ) ⋅ dS = θ ≈0
jincident ( r ) ⋅ dS + joutgoing ( r ) ⋅ dS + ji nterference ( r ) ⋅ dS
=0
= ∫∫ ∫∫ ∫∫
∂ρ
∫∫∫ dV {∇ • j (r )} = ∫∫ j (r ) ⋅ dS ; ∇ • j (r ) = −
∂t
PCD STiTACS Unit 1 Quantum Theory of Collisions 40
0= ∫∫ jincident ( r ) ⋅ dS + ∫∫ joutgoing ( r ) ⋅ dS + ∫∫ ji nterference ( r ) ⋅ dS
0= ∫∫ joutgoing ( r ) ⋅ dS + ∫∫ ji nterference ( r ) ⋅ dS
2
k f (Ω
ˆ)
δΦ = j ( r ) ⋅ δ Seˆr ≈ A(k ) eˆ r ⋅ r 2δΩeˆr
s scattered 2
outgoing
m r2
2
k f (Ω
ˆ)
∫∫ joutgoing ( r ) ⋅ dS = ∫∫ eˆ r ⋅ r 2 d Ωeˆ r
2
A(k )
m r2
A(k ) σ total
k k
joutgoing ( r ) ⋅ dS =
2
∫∫ ∫∫ f (Ω) d Ω =
2 2
A(k ) ˆ
m m
θ = 0 +Δθ 2π dσ 2
= f (Ω
ˆ)
∫∫ ji nterference ( r ) ⋅ dS = ∫θ sin θ dθ ∫ dϕ jinterference ( r ) ⋅ dS dΩ
θ ≈0 =0 ϕ=0
m
θ = 0 +Δθ 2π
A(k ) σ total +
k
= ∫θ sin θ dθ ∫ dϕ jinterference ( r ) ⋅ eˆr r 2
2
m =0 ϕ=0
jinterference ( r ) ⋅ eˆr =
⎧⎪ k ⎡ f (Ω
ˆ )eikr (1−cosθ ) f * (Ωˆ )e−ikr (1−cosθ ) ⎤ ⎫⎪
+ cos θ
2
Re ⎨ A(k ) ⎢ ⎥⎬
⎪⎩ m ⎢⎣ r r ⎥⎦ ⎭⎪
C.J.Joachain: Quantum Theory of Collisions Eq.3.39, p 51
A(k ) σ total +
k NOTE : A(k ) does not matter for subsequent analysis
0=
2
m
θ = 0 +Δθ ⎧⎪ k ⎡ f (Ω
ˆ )eikr (1−cosθ ) ˆ )e−ikr (1−cosθ ) ⎤ ⎫⎪ 2
f * (Ω
2π ∫ sin θ dθ Re ⎨ + cos θ
2
A(k ) ⎢ ⎥⎬ r
θ =0 ⎪⎩ m ⎢⎣ r r ⎥⎦ ⎭⎪
θ = 0 +Δθ
⎧ − θ ⎫
∫
ikr sin θ dθ e ikr cos +⎪
⎪ f (0) r e
⎪ ⎪
0 = σ total + 2π Re ⎨
θ =0
θ = 0 +Δθ ⎬
⎪ f * (0) r e−ikr +ikr cosθ ⎪
⎪
⎩
∫
θ =0
sin θ dθ e
⎪
⎭
cos θ = μ μ =1
⎧ − ⎫
∫
ikr d μe ikr μ
+⎪
− sin θ dθ = d μ ⎪ f (0) r e
⎪ ⎪
0 = σ total + 2π Re ⎨
μ = cos Δθ
μ =1 ⎬
⎪ f * (0) r e−ikr ikr μ ⎪
⎪ ∫ d μ e ⎪
⎩ μ = cos Δθ ⎭
PCD STiTACS Unit 1 Quantum Theory of Collisions 43
⎧⎪ μ =1 μ =1
ikr μ ⎫⎪
0 = σ total + 2π Re ⎨ f (0) r eikr
∫ d μ e −ikr μ
+ f *
(0) r e − ikr
∫ d μ e ⎬
⎩⎪ μ = cos Δθ μ = cos Δθ ⎭⎪
μ =1 μ =1
⎧ ⎡ − ikr μ ⎤ ⎡ ikr μ ⎤ ⎫
⎪ ⎪
0 = σ total + 2π Re ⎨ f (0) r eikr ⎢ + f * (0) r e −ikr ⎢
e e
⎥ ⎥ ⎬
⎪⎩ ⎢⎣ − ikr ⎥⎦ μ =cos Δθ ⎢⎣ ikr ⎥⎦ μ =cos Δθ ⎪⎭
⎧ ⎡ 1 eikr (1−cos Δθ ) ⎤ ⎫
⎪ f (0) ⎢ − ⎥ +⎪
⎪⎪ ⎢⎣ −ik −ik ⎥⎦ ⎪⎪
0 = σ total + 2π Re ⎨ ⎬
⎪ * ⎡ − ikr (1− cos Δθ ) ⎤
⎪
1 e
⎪f (0) ⎢ − ⎥ ⎪
⎪⎩ ⎢⎣ ik ik ⎥⎦ ⎪⎭
PCD STiTACS Unit 1 Quantum Theory of Collisions 44
⎧ ⎡ 1 eikr (1−cos Δθ ) ⎤ ⎫
⎪ f (0) ⎢ − ⎥ +⎪
⎪⎪ ⎢⎣ −ik −ik ⎥⎦ ⎪⎪
0 = σ total + 2π Re ⎨ ⎬
⎪ * ⎡1 e − ikr (1− cos Δθ ) ⎤ ⎪
⎪ f (0) ⎢ − ⎥ ⎪
⎪⎩ ⎢⎣ ik ik ⎥⎦ ⎪⎭
dθ
independent
of A(k )
We employed
mono-energetic incident beam
Æ idealization
PCD STiTACS Unit 1 Quantum Theory of Collisions 49
ψ Tot
+
( r , t )⎤⎦ →
r →∞ mono-energetic / idealization
1 ⎡ + i( k .r −ωt ) e + i( kr −ωt ) ⎧ 1 ∞ ⎫⎤
A(k ) ⎢e + ⎨ ∑ ( 2l + 1) ⎣e
⎡ 2 iδ l ( k )
− 1⎦ Pl (cos θ ) ⎬⎥
⎤
( 2π )
3/2
⎣ r ⎩ 2ik l =0 ⎭⎦
dσ 2
= f ( ki , Ω ) ˆ → monoenergetic idealization of
dΩ
incident beam properties
+ i ( k ⋅r −ωt ) ⎤ Realistic
d k ⎡ A(k )e
1
Φ incident (r , t ) = ∫∫∫
3
( 2π )
3/2 ⎢⎣ ⎥⎦ incident
wave
( ( ) )⎤
d 3 k ⎡ A(k )e
1 + ⋅ −ω
∫∫∫
i k r k t
=
( 2π )
3/2 ⎢⎣ ⎥⎦ packet
which is
dσ 2
= f ( ki , Ω )
ˆ
dΩ
50
PCD STiTACS Unit 1 Quantum Theory of Collisions
+ i ( k ⋅r −ωt ) ⎤ Realistic
d k ⎡ A(k )e
1
Φ incident (r , t ) = ∫∫∫
3
( 2π )
3/2 ⎢⎣ ⎥⎦ incident
wave
( ( ) )⎤
d 3 k ⎡ A(k )e
1 + ⋅ −ω
∫∫∫
i k r k t
=
( 2π )
3/2 ⎢⎣ ⎥⎦ packet
⎡∇ k ω ( k ) ⎤ = v i
⎣ ⎦ ki
1 ⎡ ⎤ wave-function in
3/2 ∫∫∫
− ik ⋅r
A(k ) = d 3
r ⎣ Φ ( r , 0) e ⎦ the momentum
( 2π )
incident
Eq.3.59 / p55 / Joachain’s Quantum Collision Theory
(rather, ‘wave-
vector’) space
Each individual 1 + i ( k ⋅r −ω ( k )t )
A(k )e known at t=0
wave ( 2π ) 3/2
1 'spread/packed'
A(k ) = ∫∫∫ d r ⎡⎣Φ incident (r , 0)e
3 − ik ⋅r
⎤
⎦
( 2π )
3/2 in the region
1
Δr
Δk
Normalization:
2 iα ⎛⎜ k ⎞⎟
∫∫∫ d r Φ incident (r , 0) = 1 = ∫∫∫ d k A(k )
2
Let A(k ) = A(k ) e
3 3
⎝ ⎠
1 ⎡ iα ⎛⎜ k ⎞⎟
⎝ ⎠ + ik ⋅r − iω ( k )t
⎤
Φ incident (r , t ) = ∫∫∫ d k ⎢ A(k ) e ⎥
3
e e
( 2π )
3/2
⎣⎢ ⎦⎥
PCD STiTACS Unit 1 Quantum Theory of Collisions 54
1 ⎡ + i ( k ⋅r −ω ( k )t ) ⎤
( 2π ) ∫∫∫
Φ incident (r , t ) = 3
d k ⎢ A(k )e ⎥⎦
3/2
⎣
Realistic incident wave packet at t=0:
iα ⎛⎜ k ⎞⎟
Let A(k ) = A(k ) e ⎝ ⎠
1 ⎡ iα ⎛⎜ k ⎞⎟
⎝ ⎠ + ik ⋅r − iω ( k )t
⎤
Φ incident (r , t ) = ∫∫∫ d k ⎢ A(k ) e ⎥
3
e e
( 2π )
3/2
⎢⎣ ⎥⎦
1 iβ ⎛⎜ k ⎞⎟
Φ incident (r , t ) =
( 2π ) ∫∫∫ 3/2
d 3 k A(k ) e ⎝ ⎠
( )
β k = k ⋅ r − ω (k )t + α k ( )
Eq.3.65, 3.66 / p56 / Joachain’s Quantum Collision Theory
⎢⎣ ⎥⎦
( ) ( )
β k = k ⋅ r − ω (k )t + α k
dβ (k ) ⎤ ⎡ dω (k ) ⎤ ⎡ dα ( k ) ⎤
1-dimensional 0= ⎥ = z−⎢ ⎥ t+⎢ ⎥
case Æ
dk ⎦ k ⎣ dk ⎦ ki ⎣ dk ⎦k
i i
⎡ dω (k ) ⎤ ⎡ dα ( k ) ⎤
i.e. z = ⎢ ⎥ t−⎢ ⎥
⎣ dk ⎦ ki ⎣ dk ⎦ k i
3-dimensional
r (t ) = ⎡⎣∇ k ω (k ) ⎤⎦ t − ⎡⎣∇ kα (k ) ⎤⎦
case Æ ki ki
Time origin: t0 r (t ) = vi ( t − t0 ) + r0
Æ
since vi = ⎡⎣∇ k ω (k ) ⎤⎦ & r0 = − ⎡⎣∇ kα (k ) ⎤⎦
ki ki
PCD STiTACS Unit 1 Quantum Theory of Collisions 57
Collimator
d: transverse width of D Detector
the wave packet
d D
d
↕b Scattering region
↔
l: a
C.J.Joachain: Quantum Theory of Collisions Fig. 3.4, p 56
Longitudinal width
1 1
d Δr
Δk Δk
⎢⎣ ⎥⎦
( )
β k = k ⋅ r − ω (k )t + α k ( )
1 ⎡ i{k ⋅r −ω ( k ) t +α ( k )} ⎤
Φ incident (r , t ) = ∫∫∫
3
d k ⎢ A(k ) e ⎥⎦
( 2π ) ⎣
3/2
( )⎦ k (
ω (k ) = ω (ki ) + ⎡∇ k ω k ⎤ ⋅ k − ki + ...
⎣ )
i
(
= ω (ki ) + vi ⋅ k − ki + ... )
= ω (ki ) + vi ⋅ k − vi ⋅ ki + ...
QUESTIONS ? Write to: [email protected]
We employed
mono-energetic incident beam
Æ idealization
PCD STiTACS Unit 1 Quantum Theory of Collisions 61
ψ Tot
+
( r , t )⎤⎦ →
r →∞ mono-energetic / idealization
1 ⎡ + i( k .r −ωt ) e + i( kr −ωt ) ⎧ 1 ∞ ⎫⎤
A(k ) ⎢e + ⎨ ∑ ( 2l + 1) ⎣e
⎡ 2 iδ l ( k )
− 1⎦ Pl (cos θ ) ⎬⎥
⎤
( 2π )
3/2
⎣ r ⎩ 2ik l =0 ⎭⎦
dσ 2
= f ( ki , Ω ) ˆ → monoenergetic idealization of
dΩ
incident beam properties
+ i ( k ⋅r −ωt ) ⎤ Realistic
d k ⎡ A(k )e
1
Φ incident (r , t ) = ∫∫∫
3
( 2π )
3/2 ⎢⎣ ⎥⎦ incident
+ i ( k ⋅r −ω ( k )t ) ⎤
wave
d 3 k ⎡ A(k )e
1
=
( 2π )
3/2 ∫∫∫ ⎢⎣ ⎥⎦ packet
which is
dσ 2
= f ( ki , Ω )
ˆ
dΩ
62
PCD STiTACS Unit 1 Quantum Theory of Collisions
1 ⎡ + i ( k ⋅r −ω ( k )t ) ⎤ iα ⎛⎜ k ⎞⎟
( 2π ) ∫∫∫
Φ incident (r , t ) = 3
d k A(k )e = ⎝ ⎠
3/2 ⎢⎣ ⎥⎦ A( k ) A( k ) e
Φ incident (r , t ) =
1
( 2π ) ∫∫∫
3/2
⎡ iβ ⎛⎜ k ⎞⎟ ⎤
d k ⎢ A(k ) e ⎝ ⎠ ⎥
3
⎣⎢ ⎦⎥
( )
β k = k ⋅ r − ω (k )t + α k ( )
Under what conditions is Φ incident (r , t ) the largest?
iβ ⎛⎜ k ⎞⎟
e ⎝ ⎠
→ oscillates in response to k since β = β k ( )
oscillating parts cancel each other's
contributions to Φincident (r , t )
For Φ incident (r , t ) to be large, these oscillations must not happen
dβ (k ) ⎤ ⎡ dω (k ) ⎤ ⎡ dα ( k ) ⎤
1-dimensional 0= ⎥ = z−⎢ ⎥ t+⎢ ⎥
case Æ dk ⎦ k ⎣ dk ⎦ ki ⎣ dk ⎦k
i i
⎡ dω (k ) ⎤ ⎡ dα ( k ) ⎤
i.e. z = ⎢ ⎥ t−⎢ ⎥
⎣ dk ⎦ ki ⎣ dk ⎦k i
3-dimensional
r (t ) = ⎡⎣∇ k ω (k ) ⎤⎦ t − ⎡⎣∇ kα (k ) ⎤⎦
case Æ ki ki
Time origin: t0 r (t ) = vi ( t − t0 ) + r0
Æ
since vi = ⎡⎣∇ k ω (k ) ⎤⎦ & r0 = − ⎡⎣∇ kα (k ) ⎤⎦
ki ki
PCD STiTACS Unit 1 Quantum Theory of Collisions 64
Φ incident (r , t ) =
1
( 2π ) ∫∫∫
3/2
⎡ iβ ⎛⎜ k ⎞⎟ ⎤
d k ⎢ A(k ) e ⎝ ⎠ ⎥
3
⎢⎣ ⎥⎦
( )
β k = k ⋅ r − ω (k )t + α k ( )
1 ⎡ i{k ⋅r −ω ( k ) t +α ( k )} ⎤
Φ incident (r , t ) = ∫∫∫
3
d k ⎢ A(k ) e ⎥⎦
( 2π ) ⎣
3/2
vi = ⎡⎣∇ k ω (k ) ⎤⎦
( )⎦ k ( )
ki
ω (k ) = ω (ki ) + ⎡∇ k ω k ⎤ ⋅ k − ki + ...
⎣ ⎡ ⎛ 2k 2 1 ⎞⎤
i Can we = ⎢∇ k ⎜ × ⎟⎥
(
= ω (ki ) + vi ⋅ k − ki + ... ) neglect
higher
⎣ ⎝ 2m ⎠⎦ k
i
order 2 2 ki 1 ki
= ω (ki ) + vi ⋅ k − vi ⋅ ki + ... terms? = × =
2
2m m
k
vi ⋅ ki = m = 2ω (ki )
since E(k ) 2 2
i k2
ω k = ( ) =
k 1
2m
=
2m
ω (k ) ≈ −ω (ki ) + vi ⋅ k
Φ incident (r , t ) =
1 ⎡ i{k ⋅r +ω ( ki ) t − vi ⋅kt +α ( k )} ⎤
∫∫∫
3
d k ⎢ A(k ) e ⎥⎦
( 2π ) ⎣
3/2
Φ incident (r , t ) =
1 ⎡ i{k ⋅( r − vi t ) +ω ( ki ) t +α ( k )} ⎤
∫∫∫
3
d k ⎢ A(k ) e ⎥⎦
( 2π ) ⎣
3/2
( )
α (k ) = α (ki ) + ⎡⎣∇ kα (k ) ⎤⎦ ⋅ k − ki + ...
ki
1 ⎡ i{k ⋅( r − vi t ) +ω ( ki ) t +α ( ki ) − r0 ⋅k + r0 ⋅ki } ⎤
= ∫∫∫
3
d k A(k ) e
( 2π )
3/2 ⎢⎣ ⎥⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 67
Φ incident (r , t ) =
1 ⎡ i{k ⋅( r − vi t ) +ω ( ki ) t +α ( ki ) − r0 ⋅k + r0 ⋅ki } ⎤
= ∫∫∫
3
d k A(k ) e
( 2π )
3/ 2 ⎢⎣ ⎥⎦
α (k ) = α (ki ) − r0 ⋅ k + r0 ⋅ ki
Φ incident (r , t ) =
1 ⎡ i{k ⋅( r − vi t ) +ω ( ki ) t +α ( k )} ⎤
= ∫∫∫
3
d k A(k ) e
( 2π )
3/ 2 ⎢⎣ ⎥⎦
1 ⎡ i{k ⋅( r − vi t ) +ω ( ki ) t} ⎤
Φ incident (r , t ) = ∫∫∫
3
d k A(k )e
( 2π )
3/ 2 ⎢⎣ ⎥⎦
⎛ ⎞
iα k ⎜ ⎟
since A(k ) = A(k ) e ⎝ ⎠
Φ incident (r , t ) =
iω ( ki )( t −t0 ) 1 ⎡ ik ⋅( r − vit ) iω ( ki ) t0 ⎤
∫∫∫
3
e d k ⎢ A(k )e e ⎥⎦
( 2π ) ⎣
3/2
1
Φ incident (r , 0) = ∫∫∫ d 3 k ⎡⎣ A(k )e + ik ⋅r ⎤⎦
( 2π )
3/2
Φ incident (r ( t ) − vi ( t − t0 ) , t0 )
iω ( ki )( t −t0 )
⇒ Φ incident (r , t ) = e
Eq.3.79 / p57 / Joachain’s Quantum Collision Theory
r (t ) = r0 + vi (t − t0 ); i.e. r (t ) − vi (t − t0 ) = r0
PCD STiTACS Unit 1 Quantum Theory of Collisions 69
+ i ( k ⋅r −ω ( k )t ) ⎤ Realistic
d k ⎡ A(k )e
1
Φ incident (r , t ) = ∫∫∫
3
⎢⎣ ⎥⎦ incident
( 2π )
3/2
wave packet
iω ( ki )( t −t0 ) 1 ⎡ ik ⋅( r − vit ) iω ( ki ) t0 ⎤
=e ∫∫∫
3
d k ⎢ A(k )e e ⎥⎦
( 2π ) ⎣
3/2
1
Φ incident (r , 0) = ∫∫∫ d 3 k ⎡⎣ A(k )e + ik ⋅r ⎤⎦
( 2π )
3/2
Φ incident (r ( t ) − vi ( t − t0 ) , t0 )
iω ( ki )( t −t0 )
Φ incident (r , t ) = e
r (t ) = r0 + vi (t − t0 ); i.e. r (t ) − vi (t − t0 ) = r0
free wave packet centered around the point r0 at time t0
will have same shape as a wave packet
centered around the point r0 + vi (t − t0 ) at time t
70
PCD STiTACS Unit 1 Quantum Theory of Collisions
Higher
( )⎦ k (
ω (k ) = ω (ki ) + ⎡∇ k ω k ⎤ ⋅ k − ki + ...
⎣ ) order
i terms
( )
= ω (ki ) + vi ⋅ k − ki + ... ignored
71
PCD STiTACS Unit 1 Quantum Theory of Collisions
⎡ dω k ( ) ⎤⎥ ( )
ω (k ) = ω (ki ) + vi ⋅ k − ki + ..
ω (k ) = ω (ki ) + ⎢
⎢ dk ⎥
( )
⋅ k − ki + ...
= −ω (ki ) + vi ⋅ k + ..
⎣ ⎦k
i
condition to ignore higher order terms:
2
E (k ) k2 1 k2
( ) ⎤⎥
⎡ d 2ω k ω (k ) = = =
( k − ki ) 2m 2m
2
⎢ → small
⎢ dk 2 ⎥ dω (k ) 2 k k
= =
⎣ ⎦k dk 2m m
i
d 2ω (k )
=
( k − ki )
2
2 dk m
t 1
m
t ≤ ⎛⎜ 2 D ⎞⎟ Phase velocity;
half the group velocity
⎝ vi ⎠
⎛ 2D ⎞
( Δk ) ⎜ ⎟
2
1
m ⎝ vi ⎠
PCD STiTACS Unit 1 Quantum Theory of Collisions 72
⎛ 2mD ⎞
( Δk ) ⎜ ( Δk )
2
⎟
2
1
m ⎝ k i ⎠ i.e. 2D 1
ki
( Δk )( Δr ) ∼ 1 ⇒ ( Δk ) ( Δr )
−1
recall :
∴ λi 2 D ( Δr )
2
i.e. λi 2 D ( Δr )
In most experiments: 10−3 cm 10−1 cm
l:
↔
a
∼ Δr ( ) a
C.J.Joachain: Quantum Theory of Collisions Fig. 3.5, p 58
Longitudinal width PCD STiTACS Unit 1 Quantum Theory of Collisions 74
Detailed shape
of the wave
packet does not
matter
l:
↔
a
∼ ( Δr ) a
Longitudinal width C.J.Joachain: Quantum Theory of Collisions Fig. 3.5, p 58
( 2π ) ∫∫∫
Φ b (r , t ) = 3
d k ⎢ A(k )e ⎥⎦
3/2
⎣
C.J.Joachain: Quantum Theory of Collisions Eq. 3.86, p 58
1 ⎡ − iω ( k )t ⎤
( 2π ) ∫∫∫
− ik ⋅b + ik ⋅r
Φ b (r , t ) = 3
d k A(k )e e e
3/2 ⎢⎣ ⎥⎦
⎡ + iω ( ki )t
e − ik ⋅vit ⎤
1
( 2π ) ∫∫∫
− ik ⋅b + ik ⋅r
Φ b (r , t ) = 3
d k A(k )e e e
3/2 ⎢⎣ ⎥⎦
{e
+ iki ⋅( r −b ) − ik ⋅v t
e i i
}{
× e
− iki ⋅( r −b ) + ik ⋅ v t
e i i =1 }
1 ( ) (
+ iω ki t + iki ⋅ r −b )
Φ b (r , t ) = e e e − iki ⋅vi t ×
( 2π )
3/2
( )( ) ( ) ⎤
d 3 k ⎡ A(k ) e
+ i k − ki ⋅ r −b − i k − ki ⋅vi t
∫∫∫ ⎢⎣
e
⎥⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 77
1 ( )
+ iω ki t + iki ⋅ r −b ( )
Φ b (r , t ) = e e e − iki ⋅vit ×
( 2π )
3/2
⎡ + i ( k − ki )⋅( r −b ) − i ( k − ki )⋅vi t ⎤
∫∫∫
3
d k A(k ) e e
⎢⎣ ⎥⎦
1 ( ) (
+ iω ki t + iki ⋅ r −b − vi t )
Φ b (r , t ) = e e ×
( 2π )
3/2
( )( )⎤
d 3 k ⎡ A(k ) e
+ i k − ki ⋅ r −b − vi t
∫∫∫ ⎢⎣ ⎥⎦
{ ) ( )}
Φ b (r , t ) = e
( + i ki ⋅ r −b − vi t +ω ki t
(
χ r − b − vi t )
(
χ r − b − vi t = ) 1
( 2π ) ∫∫∫
3/2
d 3 k ⎡ A(k ) e
⎢⎣
( )(
+ i k − ki ⋅ r − b − vi t )⎤
⎥⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions Eq.3.88 / p.58 / Joachain’s QCT 78
{ ) ( )}
Φ b (r , t ) = e
( + i ki ⋅ r −b − vi t +ω ki t
(
χ r − b − vi t )
( )
χ r − b − vi t =
1
( 2π ) ∫∫∫
3/2
3⎡
d k A(k ) e
⎢⎣
+ i ( k − ki )⋅( r −b − vi t ) ⎤
⎥⎦
Recall that:
Normalization:
2
∫∫∫ d r Φ incident (r , 0) = 1 = ∫∫∫ d k A(k )
3 2 3
⇒ ∫∫∫ d s χ ( s ) = 1 3 2
Hence the
Longitudinal width ( Δr ) D
packet does
not overlap the
∼ ( Δr ) a target when it is
far from the
↔
l: target
a C.J.Joachain: Quantum Theory of Collisions Fig. 3.5, p 58
Longitudinal width PCD STiTACS Unit 1 Quantum Theory of Collisions 81
⎡ iki i r f (Ωˆ ) ikr ⎤
ψ k (r ; r → ∞) r→
+
→∞
A(k ) ⎢e + e ⎥
i ⎣ r ⎦
( 2π ) ∫∫∫
+
Ψ (r , t ) = 3
d k A(k )e − ik ⋅b
ψ k (r ) e
+
b 3/2 ⎢⎣ ⎥⎦
+ i ( kz −ωt ) ˆ
e k i = eˆ z
QUESTIONS ? Write to: [email protected]
PCD STiTACS Unit 1 Quantum Theory of Collisions 82
INTRODUCTORY lecture about this course on
Select/Special Topics from
‘Theory of Atomic Collisions and Spectroscopy’
P. C. Deshmukh
Department of Physics
Indian Institute of Technology Madras
Chennai 600036
Unit 1 Lecture Number 06
Quantum Theory of Collisions
i) Differential x-sec dσ = f (k , Ωˆ ) 2
(wave-packets) d Ω i
1 ⎡ f (Ωˆ ) ikr − iω ( k )t ⎤
( 2π ) ∫∫∫
+ − ik ⋅b
Ψ (r , t ) → Φ b (r , t ) +
b 3/2
3
d k ⎢ A(k )e e e ⎥
r →∞
⎣ r ⎦
incident wave packet scattered wave packet
⎡ i( kr −ω ( k )t ) ⎤
1 e
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
( 2π )
3/2 ∫∫∫ d 3 k ⎢ A(k )e − ik ⋅b f (Ω
⎢
ˆ)
r
⎥
⎥
⎣ ⎦
→
t → −∞ Eef van Beveren
+
Ψ (r , t ) Φ (r , t )
b r →∞ b ÅÅÅ http://cft.fis.uc.pt/eef
→
t → +∞ C.J.Joachain: Quantum Theory of Collisions Eq. 3.86, p 58
Ψ b+ (r , t )
r →∞
?
PCD STiTACS Unit 1 Quantum Theory of Collisions 85
⎡ i( kr −ω ( k )t ) ⎤
1 e
( 2π ) ∫∫∫
+
Ψ (r , t ) → Φ b (r , t ) + 3
⎢
d k A(k )e − ik ⋅b
f (Ω)
ˆ ⎥
⎢ ⎥
b r →∞ 3/2
r
⎣ ⎦
k k i + kˆi ⋅ ( k − k i ) ω (k ) ω (ki ) + vi ⋅ k − ki ( )
i( kr −ω ( k )t ) ( )
iki r iki ⋅ k − ki r − iω ( ki ) t − ivi ⋅ k − ki t
ˆ ( )
e =e e e e
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
Λ(k , Ω
ˆ)
i
ˆ ) + ⎡∇ Λ ( k , Ω
Λ(k , Ω
⎣ k i
ˆ )⎤
⎦k = k
⋅ k −k
i ( )
i
= Λ (k , Ω
i
ˆ ) + ρ (Ω
ˆ )⋅ k − k ;
i (
ρ ( Ωˆ ) Δr = )
+ ρ (Ωˆ ) = ⎡∇ Λ ( k , Ω
ˆ )⎤
Ψ b (r , t ) → Φ b (r , t ) + ⎣ k i ⎦k = k
r →∞ i
⎡ 1 e iki r − iω ( ki ) t
e ⎤
⎢ f ( ki , Ω )
ˆ × ⎥
( π )
3/ 2
⎢ 2 r ⎥
+
⎢ ˆ ⋅( k − k ) r − iv ⋅( k − k )t ˆ )⋅( k − k ) ⎥
⎢ ∫∫∫ d 3 k ⎡ A(k )e − ik ⋅b e i i e i i eiΛ ( ki ,Ω ) e i ⎤
ρ Ω
⎥
ik ˆ i (
⎣ ⎢
⎣ ⎥
⎦⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 87
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
⎡ 1 e iki r − iω ( ki ) t
e ⎤
⎢ f ( ki , Ω )
ˆ × ⎥
( π )
3/ 2
⎢ 2 r ⎥
+
⎢ ˆ ⋅( k − k ) r − iv ⋅( k − k )t ˆ )⋅( k − k ) ⎥
⎢ ∫∫∫ d 3 k ⎡ A(k )e − ik ⋅b e i i e i i eiΛ ( ki ,Ω ) e i ⎤
ρ Ω
⎥
ik ˆ i (
⎣ ⎢
⎣ ⎥
⎦⎦
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
⎡ 1 e iki r − iω ( ki ) t
e Λ ˆ ) − ik ⋅b ⎤
Ω
⎢ f ( k , Ω
ˆ) e i ( ki ,
e i
×⎥
( π )
3/2 i
⎢ 2 r ⎥
+
⎢ ( ) ˆ ) ⎤ ⋅( k − k ) ⎥
⎢ ∫∫∫ d 3 k ⎡ A(k )e ⎤ ⎥
− i k − k ⋅b i ⎡ ˆ −v t + ρ (Ω
rk
i
e⎣ i i ⎦ i
⎣ ⎢⎣ ⎥⎦ ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 88
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
⎡ 1 e iki r − iω ( ki ) t
e ˆ ) − ik ⋅b ⎤
i Λ ( ki , Ω
⎢ f ( k , Ω
ˆ ) e e i
×⎥
( π )
3/2 i
⎢ 2 r ⎥
+
⎢ − i ( k − ki )⋅b i ⎡⎣ rkˆi − vi t + ρ ( Ωˆ ) ⎤ ⋅( k − k ) ⎥
3 ⎡ ⎤ ⎥
⎢ ∫∫∫ d k A(k )e e ⎦ i
⎣ ⎢⎣ ⎥⎦ ⎦
Ψ b+ (r , t ) → Φ b (r , t ) + f ( ki , Ω
ˆ)
r →∞
⎡ 1 ⎤
{ }
iki r − iω ( ki ) t
i Λ ( ki , Ω )
ˆ e e − iki ⋅b
⎢ f ( ki , Ω ) e
ˆ e ×⎥
( π )
3/2
⎢ 2 r ⎥
+
⎢ ˆ ) ⎤ ⋅( k − k )
− i ( k − ki )⋅b i ⎡⎣ rkˆi − vi t + ρ ( Ω
⎥
3 ⎡ ⎤
⎢ ∫∫∫ d k A(k )e e ⎦ i
⎥
⎣ ⎢⎣ ⎥⎦ ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 89
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
⎡ 1 e iki r − iω ( ki ) t
e − ⋅
⎤
⎢ f ( ki , Ω
ˆ) e iki b
×⎥
( π )
3/2
⎢ 2 r ⎥
+
⎢ ˆ ) −b ⎤ ⋅( k − k ) ⎥
⎢ ∫∫∫ d 3 k ⎡ A(k )e ⎣ i i i ⎤
⎡ ˆ −v t + ρ (Ω
⎥
i rk
⎦
⎣ ⎢⎣ ⎥⎦ ⎦ ↓shape of the
↓wave packet
we had: ( 2π )
−3/2
∫∫∫ ⎡
3
d k A(k ) e
⎢⎣
+ i ( k − ki )⋅( r −b − vi t ) ⎤
⎥⎦ (
= χ r − b − vi t )
( )
ˆ ) −b ⎤ ⋅( k − k )
⇒ ( 2π )
−3/2 ⎡ i ⎡ rkˆi − vi t + ρ ( Ω i ⎤
∫∫∫ ⎣ ⎦
= χ rkˆi − vi t + ρ (Ω
ˆ )−b
3
d k A(k )e
⎢⎣ ⎥⎦
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
{
i ki r −ω ( ki ) t }
+ f ( ki , Ω )
ˆ e
r
(
e − iki ⋅b χ rkˆi − vi t + ρ (Ω
ˆ )−b )
PCD STiTACS Unit 1 Quantum Theory of Collisions 90
Ψ b+ (r , t ) → Φ b (r , t ) +
r →∞
{
i ki r −ω ( ki ) t }
+ f ( ki , Ω )
ˆ e
r
(
e − iki ⋅b χ rkˆi − vi t + ρ (Ω
ˆ )−b )
2
( )
+ scattered 2
1 2
Ψ b
part only
( r , t ) = f ( ki , Ω ) 2 χ ρ ( Ω
ˆ ˆ ) + kˆ r − v t − b
i i
r
Probability of scattering along the direction Ω̂
∞ ∞
( )
2
2 1
∫ ∫0 r 2 χ ρ (Ωˆ ) + kˆi r − vit − b
+ scattered 2
Pb (Ω
ˆ ) = r dr Ψ
2
b
( r , t ) = f ( ki , Ω
ˆ) r 2
dr
0
( )
2
ˆ ) + kˆ ( r − v t ) − b
2
∫
ˆ ) dr χ ρ (Ω
= f ( ki , Ω
0
i i since vi = kˆi vi
( )
2
ˆ ) + kˆ ( r − v t ) − b
2
Pb (Ω
ˆ ) = f (k , Ω
i
ˆ)
∫
0
dr χ ρ ( Ω i i
( )
2 2
Pb (Ω
ˆ ) = f (k , Ω
i
ˆ)
∫
−∞
dz χ ρ (Ω
ˆ ) + kˆ z − b
i z = r − vi t
∞
dσ
( )
2 2
= ∫∫ d bPb (Ω) = f (ki , Ω) ∫ dz ∫∫ d 2b χ ρ (Ω
2 ˆ ˆ ˆ ) + kˆ z − b
dΩ
i
−∞
Whole space integral
∫∫∫ d s χ (s )
2
=1
3
s = ρ (Ω
ˆ ) + kˆ z − b
i
dσ 2 ← Appropriate expression
= f ( ki , Ω
ˆ) even to describe scattering of
dΩ the wave packet.
C.J.Joachain: Quantum Theory of Collisions Eq. 3.107, p 61 PCD STiTACS Unit 1 Quantum Theory of Collisions 92
Having established that
dσ 2 is an appropriate
= f ( ki , Ω
ˆ) expression even to
dΩ describe scattering of
the wave packet,
we now proceed to study some
important and consequential aspects
of
PARTIAL WAVE ANAYLSIS
lπ
sin( kr − )
ψ inc (r ; r → ∞) → ∑ i l (2l + 1) Pl (cos θ ) 2
l kr
⎛ lπ ⎞ ⎛ lπ ⎞
i ⎜ kr − ⎟ − i ⎜ kr − ⎟
e ⎝ 2⎠
−e ⎝ 2⎠
ψ inc (r ) → ∑ i (2l + 1) Pl (cos θ )
l
r →∞ 2ikr
ψ inc
l
1
∑ (2l + 1) Pl (cos θ )e − Pl (cos θ ) ( −1) e ⎤
⎡ l − ikr
→ ikr
r →∞ 2ikr l ⎣ ⎦
ψ inc
1
→ ∑
r →∞ 2ikr l
(2l + 1) ⎡
⎣ Pl (cos θ ) e ikr
− Pl ( − cos θ ) e − ikr
⎤⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions
94
in the presence of a
E > 0 continuum
scattering target potential
2 l (l + 1) 2μ
R ''+ R '− 2
R + 2 [ E − V (r )] R = 0
r r
yε l ( r )
R ε l (r ) = ; i.e. yε l ( r ) = rR ε l ( r )
r
⎡ 2
d2 ⎧ 1 l (l + 1) ⎫ ⎤
⎢ − 2m dr 2 + ⎨V (r ) + 2m r 2 ⎬ − E ⎥ yε l (r ) = 0
⎣ ⎩ ⎭ ⎦
⎡ d2 l (l + 1) ⎤ 2mV (r )
⎢ dr 2 + k − U (r ) − r 2 ⎥ yl (k , r ) = 0
2
U (r ) = 2
⎣ ⎦
M
When lim U (r ) = 1+ε ; M :constant and ε 〉 0
r →∞ r
PCD STiTACS Unit 1 Quantum Theory of Collisions 95
rR ( k , r ) = y ( k , r ) → kr ⎡C
r →∞ ⎣
(1)
(k ) j (kr ) + C (2) (k )n (kr ) ⎤⎦ , r " range "
j (kr ) : spherical Bessel functions of the potential
‘V≠0’
n (kr ) : spherical Neumann functions
⎛ lπ ⎞ ⎛ lπ ⎞
sin ⎜ kr − ⎟ − cos ⎜ kr − ⎟
jl (k , r ) → ⎝ ; nl (k , r ) →
2⎠ ⎝ 2⎠
r →∞ kr r →∞ kr
⎡ ⎛ lπ ⎞ ⎛ lπ ⎞ ⎤
⎢ sin ⎜ kr − ⎟ cos ⎜ kr − ⎟
2 ⎠⎥
y (k , r ) → kr ⎢C (k ) ⎝ 2⎠ ⎝
(1)
− C (k )
(2)
⎥
r →∞ ⎢ kr kr ⎥
⎢⎣ ⎥⎦
⎡ ⎛ lπ ⎞ ⎛ lπ ⎞ ⎤
y (k , r ) → ⎢C (1) (k ) sin ⎜ kr − ⎟ − C (2) (k ) cos ⎜ kr − ⎟ ⎥
r →∞ ⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦
lπ
yl (k , r ) → Al (k ) sin ⎜ kr − + δ l (k ) ⎟ tan δ l (k ) = − (1)
⎛ ⎞ C (2) (k )
r →∞ ⎝ 2 ⎠ C (k )
PCD STiTACS Unit 1 Quantum Theory of Collisions 96
∞
ikr cosθ
e = ∑ i l ( 2l + 1) Pl ( cos θ ) jl (kr )
l =0 ⎡ ⎤
( eˆ )
∞
ikˆi irˆ
e = 4π ∑ i jl (kr ) ⎢
l
∑ Y *m ⎛⎜ kˆ i ⎞⎟ Y m ⎥
⎝ ⎠
r
l =0 ⎢⎣ m=− ⎥⎦
+ i ( kz −ωt ) ˆ
e k i = eˆ z
ψ Tot →
r →∞
1
∑
2ikr l
cl (2l + 1) ⎡
⎣ Pl (cos θ ) e
i ( kr +δ l )
− Pl ( − cos θ ) e
− i ( kr +δ l )
⎤
⎦
ψ Tot
+
( r , t )⎦⎤ →
r →∞ cl = e δ i l (k )
describes 'collisions'
+ i ( kr −ωt )
e ⎧ 1 ∞ ⎫
e
+ i ( kz −ωt )
+
r
⎨
⎩
∑
2ik l =0
( 2l + 1)⎣
⎡ e 2 iδ l ( k )
− 1⎤
⎦ Pl (cos θ ) ⎬
⎭
Please refer to details from :
PCD STiAP Unit 6 Probing the Atom
Lecture link: http://nptel.iitm.ac.in/courses/115106057/27 & /28 & /29 & /30 97
PCD STiTACS Unit 1 Quantum Theory of Collisions
lπ
yl (k , r ) → Al (k ) sin ⎜ kr − + δ l (k ) ⎟ tan δ l (k ) = − (1)
⎛ ⎞ C (2) (k )
r →∞ ⎝ 2 ⎠ C (k )
⎡ (1) ⎛ lπ ⎞ ⎛ lπ ⎞⎤
y (k , r ) → ⎢C (k ) sin ⎜ kr − ⎟ − C (k ) cos ⎜ kr −
(2)
⎟⎥
r →∞ ⎣ ⎝ 2 ⎠ ⎝ 2 ⎠⎦
y (k , r ) →
r →∞
( k )e l i
⎡⎣eikr ei 2δl ( k ) − e − ikr (−1)l ⎤⎦
2i
y (k , r ) → Al (k ) ⎣e e
⎡ ikr i 2δ l ( k )
− e (−1) ⎤⎦
− ikr l
r →∞
Linear combination
A − iδ l ( k )
( )
− ll
of spherical ingoing ( k )e 1 i
& spherical outgoing
A (k ) =
l
l
2i
waves
QUESTIONS ? Write to: [email protected] PCD STiTACS Unit 1 Quantum Theory of Collisions 100
Select/Special Topics in
‘Theory of Atomic Collisions and Spectroscopy’
P. C. Deshmukh
Department of Physics
Indian Institute of Technology Madras
Chennai 600036
Lecture Number 07
Unit 1: Quantum Theory of Collisions
OPTICAL THEOREM –
-Unitarity of the Scattering
Operator
Primary Reference: ‘Quantum Mechanics
How many partial waves? – Nonrelativistic theory’
Is there an lmax? – by Landau & Lifshitz
PCD STiTACS Unit 1 Quantum Theory of Collisions
101
⎡ lπ ⎤
sin ⎢ kr − + δ l (k ) ⎥
Rl (k , r ) → Al (k ) ⎣ ⎦
2
r →∞ r
+ i ( kr −ωt )
⎧ 1 ∞ ⎫
( r , t )⎤⎦ r→
e
ψ Tot
+
→∞
e + i( kz −ωt ) +
r
⎨
⎩ 2ik
∑
l =0
( 2l + 1)⎣
⎡ e 2 iδ l ( k )
− 1⎤ P
⎦ l (cos θ ) ⎬
⎭
⎡ lπ ⎤ ⎡ lπ ⎤
i ⎢ kr − +δ l ( k ) ⎥ − i ⎢ kr − +δ l ( k ) ⎥
⎣ ⎦
−e ⎣ ⎦
→
2 2
e
r R (k , r ) = y (k , r )
r →∞
A (k ) l
2i
y (k , r ) → Al (k ) ⎣e e
⎡ ikr i 2δ l ( k )
− e (−1) ⎤⎦
− ikr l
r →∞
Linear combination A ( k )e − iδ l ( k )
( −1) i l
l
of spherical ingoing A (k ) =
l
l
2i
& spherical outgoing −i
lπ
S l ( k ) = e i 2δ l ( k )
= ( −1) i l ;
l
2
waves e
S Matrix element
= (e )
ilπ iπ l
PCD STiTACS Unit 1 Quantum Theory of Collisions e = (−1) l
102
⎡ lπ ⎤ ⎡ lπ ⎤
i ⎢ kr − +δ l ( k ) ⎥ − i ⎢ kr − +δ l ( k ) ⎥
⎣ ⎦
−e ⎣ ⎦
→ A (k )
2 2
e
r R (k , r ) = y (k , r )
r →∞ l
2i
nature of r → 0 solution:
lim r 2V (r ) = 0 includes coulomb
r →0
1 d ⎛ 2 dR ⎞ l (l + 1) 2μ
2 [
⎜ r ⎟ − R + E − V (r )] R = 0
r dr ⎝ dr ⎠
2
r 2
d ⎛ 2 dR ⎞ 2μ 2
⎜r ⎟ − l (l + 1) R + 2 r [ E − V (r ) ] R = 0
dr ⎝ dr ⎠
d ⎛ 2 dR ⎞
⎜r ⎟ − l (l + 1) R(r ) = 0 ÅRegardless of E,m
dr ⎝ dr ⎠
∞ s = l or − (l + 1) :
R(r ) = r s
∑a r
i =0
i
i
R(r → 0) → r l (any E )
y (r → 0) → r l +1
103
1 ∞
f k (θ ) = ∑
2ik l =0
( 2l + 1) ⎡
⎣ e 2 iδ l ( k )
− 1⎤⎦ Pl (cos θ )
∞
f k (θ ) = ∑ ( 2l + 1) al (k ) Pl (cos θ ) → f k (θ ) : scattering amplitude
l =0
a (k ) =
{1 − 2sin [δ (k ) ]} + i {2sin [δ (k ) ] cos [δ (k )]} − 1
2
l l
×
( −i ) l
l
2ik ( −i )
a (k ) =
{i sin [δ (k ) ]} + {sin [δ (k ) ] cos [δ (k )]} sin [δ (k ) ] e
2
l
=
l l l
iδ l ( k )
l
k k
∞
sin [δ l (k ) ] eiδl ( k )
f k (θ ) = ∑ ( 2l + 1) Pl (cos θ )
l =0 k
PCD STiTACS Unit 1 Quantum Theory of Collisions 104
∞
sin [δ l (k ) ] eiδl ( k )
f k (θ ) = ∑ ( 2l + 1) Pl (cos θ )
l =0 k
dσ
= f k* (θ ) f k (θ )
dΩ
⎧⎪ ∞ sin [δ l (k ) ] e − iδl ( k ) ⎫⎪
= ⎨∑ ( 2l + 1) Pl (cos θ ) ⎬
⎩⎪ l =0 k ⎭⎪
⎧⎪ ∞ sin [δ l ' (k ) ] eiδl ' ( k ) ⎫⎪
× ⎨∑ ( 2l '+ 1) P 'l (cos θ ) ⎬
⎩⎪ l '=0 k ⎭⎪
⎧∞ ∞
⎫
⎪∑ ∑ ( 2 l + 1 )( 2l '+ 1) × sin [ l' ] [ l ] ⎪
δ ( k ) sin δ ( k )
2π ⎪ l '=0 l =0 ⎪
σ Total = 2 ⎨ π ⎬
k ⎪ i[δl ' ( k ) −δl ( k )] ⎪
×e × ∫ sin θ dθ Pl (cos θ )P 'l (cos θ )
⎪⎩ 0
⎪⎭
PCD STiTACS Unit 1 Quantum Theory of Collisions 105
⎧∞ ∞
⎫
⎪∑ ∑ ( 2l + 1)( 2l '+ 1) × sin [δ l ' (k ) ] sin [δ l (k ) ] ⎪
2π ⎪ l '=0 l =0 ⎪
σ Total = 2 ⎨ ⎬
k ⎪ i[δl ' ( k ) −δl ( k )] π ⎪
×e × ∫ sin θ dθ Pl (cos θ )P 'l (cos θ )
⎪⎩ 0
⎪⎭
⎧∞ ∞
⎫
⎪ ∑ ∑ ( 2l + 1)( 2l '+ 1) × sin [δ l ' (k ) ] sin [δ l (k ) ] ⎪⎪
2π ⎪
σ Total = 2 ⎨ l '= 0 l = 0 ⎬
k ⎪ i[δl ' ( k )−δl ( k )] 2 ⎪
×e × δ ll '
⎪⎩ 2l + 1 ⎭⎪
4π ∞
σ Total = 2 ∑ ( 2l + 1) sin 2
[δ l (k )]
k l =0
Y
Scattering of classical particles plane
δσ
bδϕ δ b
δσcl = bδ bδϕ
X
PLANE of the
δσcl = bδ bδϕ b δb
C.J.Joachain: Quantum Theory
of Collisions Fig. 4.2, p 74
IMPACT δσcl = δΩ
δb PARAMETER sinθ δθ
δσcl = b δ ( cosθ ) δϕ
δ ( cosθ ) dσ
cl = b db
δb dΩ sinθ dθ
δσcl = b {−sinθδθ} δϕ
{−sinθδθ} PCD STiTACS Unit 1 Quantum Theory of Collisions 108
+ i ( kz −ωt ) ˆ
e k i = eˆ z
dσ
Scattering of classical particles cl = b db
PLANE of the IMPACT
dΩ sinθ dθ
PARAMETER
What would be the angular momentum of a classical
particle at impact parameter l = ρ× p =b× p
b4.2, ?p 74
C.J.Joachain: Quantum Theory
of Collisions Fig.
4π
σ Total = Im ⎡⎣ f k (θ = 0 ) ⎤⎦ OPTICAL THEOREM
k
111
Incidence
n̂ direction
f ( nˆ , nˆ ') eikr
Scattering ψ (r ) → eikrn
ˆ.nˆ
r →∞
' +
nˆ ' direction r
eikr
F ( nˆ ) eikrnˆ.nˆ 'd Ο + ∫∫ f ( nˆ, nˆ ') F ( nˆ ) d Ο
r →∞ ∫∫
Ψ (r ) →
r
Ref.: Landau & Lifshitz, NR-QM §125, page 508 PCD STiTACS Unit 1 Quantum Theory of Collisions 112
eikr
F ( nˆ ) e ˆ ˆ d Ο +
ikrn.n '
∫∫ F ( nˆ ) f ( nˆ, nˆ ') d Ο
r →∞ ∫∫
Ψ (r ) →
r
ikrn
ˆ.nˆ ' oscillates rapidly at large r as
e incident direction n̂ changes
Integration is over
different directions
hence determined by nˆ = ± nˆ '
of incidence
∫∫ F ( ˆ
n ) eikrnˆ.nˆ 'd Ο where F ( nˆ ) ∼ F ( ± nˆ ')
π 2π n̂
Ψ (r ) → ∫ sin ϑ dϑ ∫φ dφ F ( nˆ ) eikrnˆ.nˆ '
r →∞ ϑ =0 =0 ϑ
eikr φ
+ ∫∫ F ( nˆ ) f ( nˆ, nˆ ') d Ο nˆ '
r
eikr ϑ
+ ∫∫ f ( nˆ, nˆ ') F ( nˆ ) d Ο φ
r
π ikr
nˆ '
sin ϑ dϑ F ( nˆ ) e + e
∫∫ f ( nˆ, nˆ ')F ( nˆ ) d Ο
ikrn
ˆ.nˆ '
Ψ (r ) → 2π
r →∞ ϑ
∫=0
r
cosϑ =−1
F ( nˆ ) eikr cosϑ eikr
Ψ (r ) → 2π
r →∞
+ ∫∫ f ( nˆ, nˆ ')F ( nˆ ) d Ο
ikr r
cosϑ =1
2π i ⎡ F ( − nˆ ') e
−ikr F ( nˆ ') eikr ⎤ eikr
Ψ (r ) → ⎢ − ⎥+ ∫∫ f ( nˆ, nˆ ')F ( nˆ ) d Ο
r →∞ k ⎢ r r ⎥ r
⎣ ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 114
2π i ⎡ F ( − nˆ ') e
−ikr F ( nˆ ') eikr ⎤ eikr
Ψ (r ) → ⎢ − ⎥+ ∫∫ f ( nˆ, nˆ ')F ( nˆ ) d Ο
r →∞ k ⎢ r r ⎥ r
⎣ ⎦
⎧ 2π i ⎫
dropping the factor ⎨ ⎬
⎩ k ⎭
F ( −nˆ ') e−ikr F ( nˆ ') eikr k eikr
Ψ (r ) →
r →∞
− + ∫∫ f ( nˆ, nˆ ')F ( nˆ ) d Ο
r r 2π i r
ingoing outgoing
Spherical wave spherical wave
e−ikr eikr ⎡
F ( −nˆ ') −
k
( ) − ( ) ( ) ⎤
2π i ∫∫
Ψ (r ) → ⎢⎣ F ˆ
n ' f ˆ
n , ˆ
n ' F ˆ
n d Ο ⎥⎦
r →∞ r r
PCD STiTACS Unit 1 Quantum Theory of Collisions 115
e−ikr F ( −nˆ ') − eikr ⎡ F ( nˆ ') − k ⎤
f ( nˆ , nˆ ') F ( nˆ ) d Ο ⎥
Ψ (r ) →
r →∞ r r ⎢⎣ 2π i ∫∫ ⎦
Ψ (r ) →
e−ikr F ( −nˆ ') − eikr ⎡ F ( nˆ ') − k ⎤
4π f F ( nˆ ') ⎥
r →∞ r r ⎢⎣ 2π i ⎦
Ψ (r ) →
e−ikr F ( −nˆ ') − eikr ⎡1 + 2ki f ⎤ F ( nˆ ')
r →∞ r r ⎣ ⎦
1
f F ( nˆ ') = ∫∫ f ( nˆ, nˆ ') F ( nˆ ) d Ο
4π
Ψ (r ) →
e−ikr F ( −nˆ ') − eikr S F ( nˆ ')
r →∞ r r
Scattering Operator (definition) S = ⎡⎣1 + 2ki f ⎤⎦
Ref.: Landau & Lifshitz, NR-QM §125,
Eq.125.3, page 509 Heisenberg (1943)
Ψ (r ) →
e−ikr F ( −nˆ ') − eikr S F ( nˆ ') 1
r →∞ r r
=
4π ∫∫ f ( nˆ, nˆ ') F ( nˆ ) d Ο
‘ingoing’ ‘outgoing’
S = ⎡⎣1 + 2ki f ⎤⎦
F ( −nˆ ') F ( −nˆ ')
→ measure of intensity of ingoing wave
r r
F ( nˆ ') † F ( nˆ ')
S S → measure of the intensity
r r
? of the outgoing wave
SS † = 1 − 2ki f † + 2ki f + 4k 2 f f †
(
SS † = 1 + 2ki f − f † + 4k 2 f f † )
SS † = 1 ⇒ ( f − f ) = 2ki†
f f†
Ref.: Landau & Lifshitz, NR-QM §125, page 508 PCD STiTACS Unit 1 Quantum Theory of Collisions 119
( f − f ) = 2ki
†
f f †
( )
⇒ f − f † F ( nˆ ') = 2ki f f † F ( nˆ ')
1 Integration is over
f F ( nˆ ') = ∫∫ 2 f ( nˆ , nˆ ') F ( nˆ ) d Ο
4π nd index
Å unprimed variables
Integration is over 1
f F ( nˆ ') =
†
∫∫ f *
( nˆ ', nˆ ") F ( nˆ ") d Ο "
double-primed Æ 4π
variables 1st index
1 ⎡ 1 ⎤
∫∫ f ( n, n ' ) F ( n ) d Ο − ⎢
ˆ ˆ ˆ ∫∫ f ( n ', n ") F ( n ") d Ο "⎥ =
*
ˆ ˆ ˆ
4π ⎣ 4π ⎦
⎡ 1 ⎤
= 2ki f ⎢ ∫∫ f * ( nˆ ', nˆ ") F ( nˆ ") d Ο "⎥
⎣ 4π ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 120
∫∫ f ( nˆ, nˆ ') F ( nˆ ) d Ο − ∫∫ f * ( nˆ ', nˆ ") F ( nˆ ") d Ο " =
∫∫ f ( nˆ , nˆ ') F ( nˆ ) d Ο − ∫∫ f * ( nˆ ', nˆ ) F ( nˆ ) d Ο =
{
= 2ki ⎡ ∫∫ f * ( nˆ ', nˆ ") f F ( nˆ ") d Ο "⎤
⎣ ⎦ }
1 1
f F ( nˆ ') = ∫∫ f ( nˆ , nˆ ') F ( nˆ ) d Ο f F ( nˆ ") = ∫∫ f ( nˆ, nˆ ") F ( nˆ ) d Ο
4π 4π
∫∫ ⎡⎣ f ( nˆ , nˆ ') − f * ( nˆ ', nˆ ) ⎤⎦ F ( nˆ ) d Ο =
⎧ ki ⎫
= ⎨ ⎬ ⎡⎣ ∫∫ f * ( nˆ ', nˆ ") ∫∫ f ( nˆ , nˆ ") F ( nˆ ) d Οd Ο "⎤⎦
⎩ 2π ⎭
PCD STiTACS Unit 1 Quantum Theory of Collisions 122
∫∫ ⎡⎣ f ( nˆ , nˆ ') − f * ( nˆ ', nˆ ) ⎤⎦ F ( nˆ ) d Ο =
ki ⎡
=
⎣ ∫ ∫ f *
( nˆ ', nˆ ") ∫∫ f ( nˆ, nˆ ") F ( nˆ ) d Οd Ο "⎤⎦
2π
∫∫ ⎣ ⎡ f ( ˆ
n , ˆ
n ' ) − f *
( nˆ ', nˆ ) ⎤⎦ F ( nˆ ) d Ο =
⎧ ki ⎫
= ∫∫ ⎨ ∫∫ f * ( nˆ ', nˆ ") f ( nˆ , nˆ ") d Ο "⎬ F ( nˆ ) d Ο
⎩ 2π ⎭
ki
f ( n, n ') − f ( n ', n ) =
ˆ ˆ *
ˆ ˆ ∫∫ f *
( nˆ ', nˆ ") f ( nˆ, nˆ ") d Ο "
for nˆ ' = nˆ 2π
ki
f ( nˆ , nˆ ) − f * ( nˆ , nˆ ) = ∫∫ f * ( nˆ, nˆ ") f ( nˆ, nˆ ") d Ο " S : unitary
2π
ki dσ
2i Im ⎡⎣ f ( n, n ) ⎤⎦ = ∫∫ f ( nˆ , nˆ ") d Ο " f ( nˆ , nˆ ") =
2 2
ˆ ˆ
2π dΟ"
4π optical
2i Im ⎡⎣ f ( n, n ) ⎤⎦ =
ˆ ˆ
ki
σ Total σ Total = Im ⎡⎣ f ( nˆ , nˆ ) ⎤⎦
2π k theorem
PCD STiTACS Unit 1 Quantum Theory of Collisions QUESTIONS ? Write to: [email protected] 123
Select/Special Topics in
‘Theory of Atomic Collisions and Spectroscopy’
P. C. Deshmukh
Department of Physics
Indian Institute of Technology Madras
Chennai 600036
Lecture Number 08
Unit 1: Quantum Theory of Collisions
RECIPROCITY THEOREM
- from Landau & Lifshitz’ NR-QM
Phase-shift analysis
- from Joachain’s Quantum Collision Theory
PCD STiTACS Unit 1 Quantum Theory of Collisions
124
f F ( nˆ ') =
1
∫∫ f ( nˆ.nˆ ') F ( nˆ ) d Ο S = ⎡⎣1 + 2ki f ⎤⎦
4π
Scattering Operator (definition)
Ψ (r ) →
e−ikr F ( −nˆ ') − eikr S F ( nˆ ')
r →∞ r r
Ψ (r , t ) →
e−ikr e−iωt F ( −nˆ ') − eikr e−iωt S F ( nˆ ')
r →∞ r r
( )
−1
F ( nˆ ') = S
* *
S * F * ( nˆ ')
( ) ( )
−1 −1
F ( nˆ ') = S
* *
⎡⎣ −Φ ( −nˆ ') ⎤⎦ =− S *
⎡⎣Φ ( −nˆ ') ⎤⎦
( )
†
Parity: since S *
=S
= − PSPΦ ( nˆ ')
original function:
e−ikr F ( −nˆ ') − e+ikr S F ( nˆ ')
r r
⇒ PSP = S
PCD STiTACS Unit 1 Quantum Theory of Collisions 130
Interchanging n̂ & nˆ '
n̂
nˆ '
nˆ '
n̂
nˆ '
S (nˆ , nˆ ') = S (−nˆ ', −nˆ )
Reversing the signs of
n̂ n̂ & nˆ '
PCD STiTACS Unit 1 Quantum Theory of Collisions 131
interchange incidence & scattered directions
& reverse signs S (nˆ , nˆ ') = S (−nˆ ', −nˆ )
* FINAL
(A+ )+ e‐ STATE:
SAME
“HALF-SCATTERING”
SCATTERING
“Motion-Reversal”
U.Fano & A.R.P.Rau:
Theory of Atomic Collisions & Spectra
δ l =0 (k ) → nπ Ramsauer-
Electrons just go Townsend
through the target! effect
- no scattering!
Demonstration of Ramsauer Townsend Effect
in Xenon by Kukolich – Am. J. Phys. 1968 Vol.30, No.8
PCD STiTACS Unit 1 Quantum Theory of Collisions 136
ψ inc
1
∑ (2l + 1) Pl (cos θ )e − Pl (cos θ ) ( −1) e ⎤
⎡ l − ikr
→ ikr
r →∞ 2ikr l ⎣ ⎦
ψ Tot ( r ) →
r →∞ { cl+ = eiδl ( k ) }
1
∑
2ikr l
(2l + 1) ⎡
⎣ Pl (cos θ ) e ikr
e i 2δ l ( k )
− Pl ( − cos θ ) e − ikr
⎤⎦
ψ Tot ( r ) →
r →∞ { cl+ = eiδl ( k ) }
1
∑
2ikr l
(2l + 1) ⎡
⎣ Pl (cos θ ) e ikr i 2δ l ( k )
e − Pl ( − cos θ ) e − ikr
⎤⎦
⎣ ⎦ 2mV (r )
U (r ) = 2
⎡ d2 l (l + 1) ⎤
⎢ dr 2 + k − r 2 − U (r ) ⎥ yl (k , r ) = 0
2 2mV (r )
U (r ) =
⎣ ⎦ 2
Normalization
1⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤
yl (k , r ) → sin kr −
r →∞ k ⎢⎣ ⎜⎝ ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟⎥
2 ⎠ ⎝ 2 ⎠⎦
1⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤
yl (k , r ) → ⎢ sin ⎜ kr −
r →∞ k ⎣ ⎝ ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟⎥
2 ⎠ ⎝ 2 ⎠⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 139
⎡ d2 l (l + 1) ⎤ × yl (k , r ) Eq.A
⎢ dr 2 + k − r 2 − U (r ) ⎥ yl (k , r ) = 0
2
⎣ ⎦
⎡ d2 l (l + 1) ⎤
⎢ dr 2 + k − r 2 − U (r ) ⎥ yl (k , r ) = 0
2
× yl (k , r ) Eq.B
⎣ ⎦
− (U − U ) yl yl = 0
dW
−
= − (U − U ) yl yl
dW
dr
dr
PCD STiTACS Unit 1 Quantum Theory of Collisions 140
= − (U − U ) yl yl
dW
dr
r =b r =b r =b
∫
dW
dr = − ∫ (U − U ) y y dr = − ∫ y (U − U ) y dr
l l l l
r =a dr r =a r =a
r =b
W [ yl (k , r ), yl (k , r )] a = − ∫ y (U − U ) y dr
b
l l
r =a
r =b
r =b
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r =a
=− ∫ y (U − U ) y dr
l l
r =a
r →∞
r →∞
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r =0
=− ∫ yl (U − U ) yl dr
r =0
PCD STiTACS Unit 1 Quantum Theory of Collisions 141
r →∞
r →∞
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r =0
=− ∫ yl (U − U ) yl dr
r =0
r →∞
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r →∞ = − ∫ yl (U − U ) yl dr
r =0
l +1
yl (k , r → 0) → r → →0
r →0
l +1
yl (k , r → 0) → r → →0
r →0
1⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤
yl (k , r ) → ⎢ sin ⎜ kr −
r →∞ k ⎣ ⎝ ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟⎥
2 ⎠ ⎝ 2 ⎠⎦
1⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤
yl (k , r ) → ⎢ sin ⎜ kr −
r →∞ k ⎣ ⎝ ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟⎥
2 ⎠ ⎝ 2 ⎠⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 142
Evaluation in the asymptotic region r →∞
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r →∞ = − ∫ yl (U − U ) yl dr
r =0
1⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤
yl (k , r ) → − + δ l ( ) −
r →∞ k ⎢⎣ ⎜⎝ ⎟ ⎜ ⎟⎥
sin kr tan k cos kr
2 ⎠ ⎝ 2 ⎠⎦
1⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤
yl (k , r ) →
r →∞ k ⎢⎣ ⎜⎝
sin kr − ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟⎥
2 ⎠ ⎝ 2 ⎠⎦
⎡ ⎛ lπ ⎞ ⎛ lπ ⎞ ⎤
yl '(k , r ) → ⎢cos ⎜ kr − ⎟ − tan δ ( k ) sin ⎜ kr − ⎟
1st derivative r →∞ ⎣ ⎝ 2 ⎠ ⎥⎦
l
2 ⎠ ⎝
w.r.t. r ⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤
yl '(k , r ) → ⎢cos ⎜ kr − ⎟ + tan δ l ( )
k sin ⎜ kr − ⎟⎥
r →∞ ⎣ ⎝ 2 ⎠ ⎝ 2 ⎠⎦
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r →∞ =
⎧1 ⎡ ⎛ lπ ⎞ ⎛ lπ ⎞ ⎤ ⎫ ⎧ 1 ⎡ ⎛ lπ ⎞ ⎛ lπ ⎞ ⎤ ⎫
⎪ ⎢ ⎜
sin kr − ⎟ + tan δ l ( k ) cos ⎜ kr − ×
⎟⎥ ⎪ ⎪ ⎢ ⎜s in kr − ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟ ⎥ ×⎪
⎪ ⎣ ⎝
k 2 ⎠ ⎝ 2 ⎠⎦ ⎪ ⎪ ⎣ ⎝
k 2 ⎠ ⎝ 2 ⎠⎦ ⎪
=⎨ ⎬−⎨ ⎬
⎡ ⎛
⎪ cos kr − lπ ⎞ ⎛ lπ ⎞ ⎤ ⎡ ⎛
⎪ ⎪ cos kr − lπ ⎞ ⎛ lπ ⎞ ⎤ ⎪
⎢ ⎜ ⎟ − tan δ l ( k ) sin ⎜ kr − ⎟ ⎥ ⎢ ⎜ ⎟ − tan δ l ( k ) sin ⎜ kr − ⎟ ⎥
⎪⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦ ⎪ ⎪⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦ ⎪
⎩ ⎭ ⎩ ⎭
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r →∞ =
⎧1 ⎡ ⎛ lπ ⎞ ⎛ lπ ⎞ ⎤ ⎫ ⎧ 1 ⎡ ⎛ lπ ⎞ ⎛ lπ ⎞ ⎤ ⎫
⎪ ⎢ ⎜
sin kr − ⎟ + tan δ l ( k ) cos ⎜ kr − ×
⎟⎥ ⎪ ⎪ ⎢ ⎜s in kr − ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟ ⎥ ×⎪
⎪ ⎣ ⎝
k 2 ⎠ ⎝ 2 ⎠⎦ ⎪ ⎪ ⎣ ⎝
k 2 ⎠ ⎝ 2 ⎠⎦ ⎪
=⎨ ⎬−⎨ ⎬
⎡ ⎛
⎪ cos kr − lπ ⎞ ⎛ lπ ⎞ ⎤ ⎡ ⎛
⎪ ⎪ cos kr − lπ ⎞ ⎛ lπ ⎞ ⎤ ⎪
⎢ ⎜ ⎟ − tan δ l ( k ) sin ⎜ kr − ⎟ ⎥ ⎢ ⎜ ⎟ − tan δ l ( k ) sin ⎜ kr − ⎟ ⎥
⎪⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦ ⎪ ⎪⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦ ⎪
⎩ ⎭ ⎩ ⎭
[ yl (k , r ) yl '(k , r ) − yl (k , r ) yl '(k , r )] r →∞ =
⎧⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤ ⎫ ⎧⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤ ⎫
⎪⎢ ⎜sin kr − ⎟ + tan δ l ( k ) cos ⎜ kr − ×
⎟⎥ ⎪ ⎪⎢ ⎜
sin kr − ⎟ + tan δ l ( k ) cos ⎜ kr − ⎟ ⎥ ×⎪
1 ⎪⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦ ⎪ 1 ⎪⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦ ⎪
= ⎨ ⎬ − ⎨ ⎬
k ⎪⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤ ⎪ k ⎪⎡ ⎛ lπ ⎞ ⎛ lπ ⎞⎤ ⎪
⎪ ⎢⎣ ⎜⎝
cos kr − ⎟ − tan δ l ( k ) sin ⎜ kr − ⎟⎥ ⎪ ⎪⎢ ⎜
cos kr − ⎟ − tan δ l ( k ) sin ⎜ kr − ⎟⎥ ⎪
⎩ 2⎠ ⎝ 2 ⎠⎦ ⎭ ⎩⎣ ⎝ 2⎠ ⎝ 2 ⎠⎦ ⎭
⎡ lπ ⎤
rRl (k , r ) → sin ⎢ kr − + δ l (k ) ⎥
V ≠0 Examine
r →∞ ⎣ 2 ⎦ their
⎡ lπ ⎤ nodal
rRl (k , r ) → sin ⎢ kr − ⎥
V =0
r →∞ ⎣ 2⎦ behavior
PCD STiTACS Unit 1 Quantum Theory of Collisions 147
⎡ lπ ⎤ lπ
rRVl ≠ 0 (k , r ) →
sin ⎢ kr − + δ l (k ) ⎥ has nodes at kr − + δ l (k ) = nπ
r →∞
⎣ 2 ⎦ 2
⎡ lπ ⎤ lπ
rRl (k , r ) → sin ⎢ kr − ⎥ has nodes at kr − = nπ
V =0
r →∞ ⎣ 2⎦ 2
n = 0,1, 2,3, 4,.....
⎡ lπ ⎤ 1⎡ lπ ⎤
rRVl ≠ 0 (k , r ) →
sin ⎢ kr − + δ l (k ) ⎥ → nodes @ r = ⎢ nπ + − δ l (k ) ⎥
r →∞ ⎣ 2 ⎦ k⎣ 2 ⎦
⎡ lπ ⎤ 1⎡ lπ ⎤
rRVl =0 (k , r ) → sin ⎢ kr − ⎥ → nodes @ r = ⎢ nπ + ⎥
r →∞ ⎣ 2⎦ k⎣ 2⎦
n = 0,1, 2,3, 4,.....
V ≠0 δ l (k )
nodes of Rl (k , r ) are pulled/pushed by
k
with respect to those of RVl =0 (k , r ) depending on
δ l (k ) 〉 0 or δ l (k ) 〈 0.
PCD STiTACS Unit 1 Quantum Theory of Collisions 148
rRVl ≠ 0 (k , r ) →
V (r ) = 0
1⎡ lπ ⎤
nodes @ r = nπ + − δ ( k )
k ⎢⎣ ⎥⎦
l
V ≠0
2
QUESTIONS ?
Write to:
[email protected]
δ l (k )
nodes of RVl ≠ 0 (k , r ) are pushed/pulled by
k
with respect to those of RVl =0 ( k , r ) depending on
δ l (k ) 〈 0 or δ l (k ) 〉 0 .
Repulsive Attractive
V =0 Potential Potential
V (r ) ≠ 0
δ l (k )
nodes of RVl ≠ 0 (k , r ) are pushed/pulled by
k
with respect to those of RVl =0 ( k , r ) depending on
δ l (k ) 〈 0 or δ l (k ) 〉 0 .
Repulsive Attractive
Attractive
V =0 Potential Potential
Potential
V (r ) ≠ 0
tan δ l ( k ) − tan δ l ( k ) r →∞
(U (r ) − U (r ) )
δλ
= −k ∫ y (k , r )
l
δλ
y (k , r )dr l
r =0
r →∞
∂U (λ , r )
d
dλ
( tan δ l ( k ) ) = −k ∫ yl (k , r )
∂λ
yl (k , r )dr
r =0
r →∞
1 dδ l ( k ) ∂U (λ , r )
cos δ l ( k ) d λ
2
= − k ∫ yl ( k , r )
∂λ
yl (k , r )dr
r =0
PCD STiTACS Unit 1 Quantum Theory of Collisions 152
r →∞
tan δ l ( k ) = −k ∫ jl (k , r )U (r ) RlV ≠ 0 (k , r )r 2 dr
r =0 U ( r ) = U (λ , r )
U ( r ) = U (λ , r ) λ : coupling strength parameter
r →∞
1 dδ l ( k ) ∂U (λ , r )
cos δ l ( k ) d λ
2
= − k ∫ yl ( k , r )
∂λ
yl (k , r )dr
r =0
r →∞
dδ l ( k ) ∂U (λ , r )
= −k {cos δ l ( k )} ∫ yl (k , r )
2
yl (k , r )dr
dλ r =0 ∂λ
r →∞
dδ l ( k ) ∂U (λ , r )
≈ − k {1} ∫ yl (k , r ) yl (k , r )dr
dλ r =0 ∂λ
r →∞
dδ l ( k ) ∂U (λ , r )
≈ −k ∫ [ yl (k , r )]
2
dr
dλ r =0 ∂λ
⎡ ∂U (λ , r ) ⎤ ⎡ dδ l (k ) ⎤
if the sign of ⎢ then ⎢ ∂λ ⎥ has
⎣ ∂λ ⎥⎦ ⎣ ⎦
does not change in the opposite sign
region 0 ≤ r 〈∞
⎢ ⎪ ql ( k ) ⎪ ⎥
⎢ ⎪⎩ ⎪⎭ ⎥ ql (k )
tanδ l (k ) = ⎣ ⎦
⎡ ⎧ kjl' ( ka ) ⎫ ⎤
⎢ ⎪⎪ jl ( ka ) ⎪⎪ ⎥
⎢ kn ( ka) − ⎨ ⎡ ⎧ jl' ( ka ) ⎫ ⎤
⎬ nl (ka ) ⎥
'
⎢ l
ql (k ) ⎥ ⎢ ⎪⎪ jl ( ka ) ⎪⎪ ⎥
⎪ ⎪ ⎢ jl (ka ) − ⎨ ⎬ jl (ka ) ⎥
'
⎢ ⎩⎪ ⎭⎪ ⎥
⎣ ⎦ ⎢ ql (k ) ⎥
⎪ ⎪
⎢ ⎪⎩ ⎪⎭ ⎥
tanδ l (k ) = ⎣ ⎦
⎡ ⎧ jl' ( ka ) ⎫ ⎤
⎢ ⎪⎪ jl ( ka ) ⎪⎪ ⎥
⎢ n (ka ) − ⎨
'
⎬ nl (ka ) ⎥
⎢ l
⎪ ql (k ) ⎪ ⎥
⎢ ⎪⎩ ⎪⎭ ⎥
⎣ ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 158
⎧ jl' ( ka ) ⎫ ⎧ jl' ( ka ) ⎫
⎪⎪ ⎪⎪ jl ( ka ) ⎪⎪
jl ( ka ) ⎪⎪ jl' (ka ) − ⎨
jl (ka ) − ⎨
'
⎬ jl (ka ) ⎬ jl (ka )
q ( k ) ⎪ q ( k ) ⎪
⎪ ⎪
l
l
⎩⎪ ⎭⎪ tanδ l (k ) = ⎩⎪ ⎭⎪
tanδ l (k ) = ⎧ jl' ( ka ) ⎫
⎧ jl' ( ka ) ⎫ ⎪⎪
⎪⎪ jl ( ka ) ⎪⎪
jl ( ka ) ⎪⎪ nl (ka ) − ⎨
'
⎬ nl (ka)
nl (ka ) − ⎨
'
⎬ nl (ka ) ⎪ q l ( k ) ⎪
⎪ q ( k ) ⎪
l
⎪⎩ ⎪⎭
⎪⎩ ⎪⎭
⎧ 1 ⎫
jl' (ka ) ⎨1 − ⎬
tan δ l (k ) = ⎩ q l ( k ) ⎭
⎧ jl' ( ka ) ⎫
⎪⎪ jl ( ka ) ⎪⎪
nl (ka ) − ⎨
'
⎬ nl (ka)
⎪ ql (k ) ⎪
⎪⎩ ⎪⎭
jl ( z ) →
zl
nl ( z ) → −
( 2l − 1) !!
z →0 ( 2l + 1) !! z →0 z l +1
PCD STiTACS Unit 1 Quantum Theory of Collisions 160
Dl = D + D − = ( 2l + 1) !! ( 2l − 1)!! Dl =0 = 1
1 1 1 1
= = ×
Dl ( 2l + 1) !!( 2l − 1) !! 1× 3 × 5 × .. × ( 2l + 1) 1× 3 × 5 × .. × ( 2l − 1)
1 2 × 4 × 6 × .. × ( 2l ) 2 × 4 × 6 × .. × ( 2l − 2 )
= ×
Dl 1× 2 × 3 × 4 × 5 × .. × ( 2l + 1) 1× 2 × 3 × 4 × 5 × .. × ( 2l − 1)
1
=
2 l
× 1 × 2 × 3 × .. × ( l ) ×
2 l −1
×1× 2 × 3 × .. × ( l − 1)
Dl 1× 2 × 3 × 4 × 5 × .. × ( 2l + 1) 1× 2 × 3 × 4 × 5 × .. × ( 2l − 1)
1 22l −1 × l ! ( l − 1) ! ( 2l + 1) !( 2l − 1) !
= × Dl = 2l −1
Dl ( 2l + 1) ! ( 2l − 1) ! 2 l !( l − 1) !
PCD STiTACS Unit 1 Quantum Theory of Collisions 161
jl (ka ) jl ( ka ){ql (k ) − 1}
' low energy
tan δ l (k ) =
ql (k )nl (ka ) jl ( ka ) − j ( ka ) nl (ka )
' ' → ?
l k →0
z = ka 〉0 zl D−
jl ( z ) → nl ( z ) → − l +1
z →0 D+ z →0 z
D+ = ( 2l + 1) !! D− = ( 2l − 1) !!
jl' ( z ) →
lz l −1
; nl ( z ) →
'
−
( 2l − 1) !!{−(l + 1)}
z →0 ( 2l + 1) !! z →0 zl +2
jl ( z ) →
' lz l −1
; nl ( z ) →
'
=
( 2l − 1) !!(l + 1)
z →0 ( 2l + 1) !! z →0 zl +2
PCD STiTACS Unit 1 Quantum Theory of Collisions 162
jl' (ka ) jl ( ka ){ql (k ) − 1}
low energy
tan δ l (k ) =
ql (k )nl (ka ) jl ( ka ) − j ( ka ) nl (ka )
' ' → ?
l k →0
z = ka 〉0 zl D−
jl ( z ) →
z →0 D+
and nl ( z ) → − l +1
z →0 z
lz l −1 D− (l + 1)
jl ( z ) →
'
; nl ( z ) → =
'
z →0 D+ z →0 zl +2 ⎛ lz l −1 ⎞ ⎛ z l ⎞
low
⎜ ⎟⎜ ⎟ {ql (k ) − 1}
⎝ D+ ⎠ ⎝ D+ ⎠
energy
tan δ l (k ) →
⎛ D− (l + 1) ⎞ ⎛ z ⎞ ⎛ lz ⎞ ⎛ D− ⎞
k →0 l l −1
ql (k ) ⎜ l +2 ⎟⎜ ⎟−⎜ ⎟ ⎜ − l +1 ⎟
⎝ z ⎠⎝ + ⎠ ⎝ + ⎠⎝ z ⎠
D D
{ql (k ) − 1}
low
−
energy
lz × z
l 1 l
tan δ l (k ) →
k →0 D+ D− ql (k ) ( l + 1) z −2 + lz −2
low
energy
ql (k ) − 1 z 2l +1
tan δ l (k ) →
k →0 D+ D−
ql (k )
( l + 1)
+1
PCD STiTACS Unit 1 Quantum Theory of Collisions
l 163
low
ql (k ) − 1
energy
z 2l +1 kjl' (ka )
tan δ l (k ) → γ lV =0 (k ) =
k →0 D+ D− ( l + 1) jl (ka )
〉0 ql (k )
l
+1
kjl' ( ka ) / jl ( ka ) γ lV =0 (k ) low
energy
ql (k ) = = γ lV =0 (k ) →→→ ?
definition γ l (k ) γ l (k ) k →0
⎡ ρ l ⎤ ρ =ka ⎡ ( ka )l ⎤ ⎡ l ρ l −1 ⎤ ρ =ka ⎡ l ( ka )l −1 ⎤
jl ( ρ ) → ⎢ ⎥ → ⎢ ⎥ jl ( ρ ) → ⎢
'
⎥ → ⎢ ⎥
ρ →0 ⎣ D+ ⎦ ⎢⎣ D+ ⎥⎦ ρ →0 ⎣ D+ ⎦ ⎢⎣ D+ ⎥⎦
kl ( ka )
l −1
kl l l
γ V =0
(k ) → = = ql (k → 0) =
l
k →0 (ka )l ka a aγ l (k )
⎛ l ⎞
low⎜ ⎟ −1
⎝ aγ l (k ) ⎠
energy
z 2l +1
tan δ l (k ) →
k →0 D+ D− ⎛ l ⎞ ⎛ l +1⎞
⎜ ⎟⎜ ⎟ +1
⎝ aγ l (k ) ⎠ ⎝ l ⎠ PCD STiTACS Unit 1 Quantum Theory of Collisions 164
⎛ l ⎞
low ⎜ ⎟ −1 z = ka
γ 2 l +1
tan δ l (k ) → ⎝ l ⎠
energy a ( k ) z
k →0 D+ D− ⎛ l ⎞ ⎛ l +1 ⎞ 〉0
⎜ ⎟⎜ ⎟ +1
⎝ aγ l (k ) ⎠ ⎝ l ⎠
low
energy
l − aγ l (k ) z 2l +1
tan δ l (k ) →
k →0 D+ D− ( l + 1) + aγ l (k )
γˆl (k ) = lim γ l (k )
( ka )
low 2 l +1
energy
l − aγˆl (k ) k →0
tan δ l (k ) →
k →0 D+ D− ( l + 1) + aγˆl (k )
if aγˆl = − ( l + 1)
low
energy
( ka )
2 l +1
tanδ l (k ) →
k →0 ' zero energy resonance '
RECALL:
∞
f k (θ ) = ∑ ( 2l + 1) al (k ) Pl (cos θ ) → f k (θ ) : scattering amplitude
l =0
low
energy
For small δ l (k ), δ l (k ) ≈ tanδ l (k ) → k 2l +1
k →0
Sl (k ) ≈ 1 + ( 2icl k 2l +1 ) since δ l → k 2l +1
energy
k →0
Partial wave
a (k ) =
[ Sl (k ) − 1]
=
( l )
2ic k 2 l +1
= cl k 2l
amplitude l
2ik 2ik
Contribution to Falls rapidly for
al (k ) → k
2 4l
partial wave cross- small k, except for
section l=0
‘scattering length’ Æ especially useful to
describe low energy ‘s-wave only’ scattering
PCD STiTACS Unit 1 Quantum Theory of Collisions 167
Scattering length l=0 Low energy ‘s wave’ scattering
tanδ 0 ( k )
definition α = − lim
k →0
Dimension: L
k
Partial wave [ Sl (k ) − 1] ⎡⎣e 2iδl ( k ) − 1⎤⎦ cos 2δ + i sin 2δ − 1
al (k ) = = = l l
= lim
( cos 2 δ 0 ( k ) − sin 2 δ 0 ( k ) ) + ( 2i sin δ 0 ( k ) cos δ 0 ( k ) ) − 1
k →0 2ik
= lim
(1 − 2sin 2 δ 0 ( k ) ) + ( 2i sin δ 0 ( k ) cos δ 0 ( k ) ) − 1
k →0 2ik
lim a0 (k ) = lim
( − sin δ ( k ) ) + ( i sin δ ( k ) cos δ ( k ) )
2
0 0 0
δ 0 : small
k →0 k →0 ik
i sin δ 0 ( k ) i tan δ 0 ( k ) tan δ 0 ( k )
lim a0 (k ) ≈ lim lim lim = −α
k →0 k →0 ik k →0 ik k →0 k
PCD STiTACS Unit 1 Quantum Theory of Collisions 168
tan δ 0 ( k )
lim a0 (k ) lim = −α
k →0 k →0 k
∞
f k (θ ) = ∑ ( 2l + 1) al (k ) Pl (cos θ ) → f k (θ ) : scattering amplitude
l =0
f k (θ ) = a0 (k ) ≈ − α f k →0 (θ ) = α 2
2
⇒
k →0
∫∫ f k (θ ) d Ω = 4πα 2
2
σ total =
sin z cos z
j0 ( z ) = ; n0 ( z ) = −
z z
cos z sin z ' sin z cos z
j0 ( z ) =
'
− 2
; n0 ( z ) = +
z z z z2
z = ka
⎡ ' ⎧ kj0' ( ka ) / j0 ( ka ) ⎫ ⎤
⎢ kjl =0 (ka ) − ⎨ ⎬ j0 (ka ) ⎥
⎢⎣ ⎩ q0 (k ) ⎭ ⎥⎦
tanδ l =0 (k ) =
⎡ ' ⎧ kj0' ( ka ) / j0 ( ka ) ⎫ ⎤
⎢ knl =0 (ka ) − ⎨ ⎬ n0 (ka ) ⎥
⎢⎣ ⎩ q0 (k ) ⎭ ⎥⎦
⎡⎣ kjl'=0 (ka )q0 (k ) − kj0' ( ka ) ⎤⎦
tanδ l =0 (k ) =
⎡ ' ⎧⎪ n0 (ka ) ⎫⎪⎤
⎢ knl =0 (ka )q0 (k ) − kj0 ( ka ) ⎨ ⎬⎥
'
⎣⎢ ⎩⎪ 0 ( ) ⎭⎪⎦⎥
j ka
PCD STiTACS Unit 1 Quantum Theory of Collisions 171
⎡⎣ kjl'=0 (ka )q0 (k ) − kj0' ( ka ) ⎤⎦
tanδ l =0 (k ) =
⎡ ' ⎧⎪ n0 (ka ) ⎫⎪⎤
⎢ knl =0 (ka )q0 (k ) − kj0 ( ka ) ⎨ ⎬⎥
'
⎢⎣ ⎪⎩ j0 ( ka ) ⎪⎭⎥⎦
tanδ l =0 (k ) =
kjl'=0 (ka ) [ q0 (k ) − 1]
k ⎡ ' ⎧⎪ n0 (ka) ⎫⎪⎤
⎢ nl =0 (ka )q0 (k ) − j0 ( ka ) ⎨ ⎬⎥
'
⎢⎣ ⎩⎪ j0 ( ka ) ⎭⎪⎥⎦
sin z cos z
j0 ( z ) = ; n0 ( z ) = −
z z
cos z sin z ' sin z cos z
j 0' ( z ) = − ; n ( z ) = +
z z2 0
z z2
tanδ l =0 ( k ) → ⎜
⎛ cos ka
−
sin ka ⎞
⎟
[ q0 (k ) − 1]
k →0 ⎜ ⎟ ⎡⎛
( ) cos ka ⎞ ⎛ cos ka sin ka ⎞ ⎤
2
⎝ ka ka ⎠ ⎢ sin ka
2 ⎟{
⎜ + q (k ) − ⎜
2 ⎟ 0
− − cot ( ka )}⎥
⎜
⎢⎣⎝ ka ( ka ) ⎠⎟ ⎜ ( ka ) ⎠⎟ ⎥⎦
⎝ ka
×
( ka )
2
θ2 θ4 θ3 θ5
cos θ = 1 − + − ..... θ cos θ = θ − + − .....
2! 4! 2! 4!
θ3 θ5 θ4 θ6
sin θ = θ − + − ..... θ sin θ = θ − 2
+ − .....
3! 5! 3! 5!
θ3 ⎛1 1⎞ θ3 θ3
θ cos θ − sin θ = θ − + .. − θ + .. ≈ θ ⎜ − ⎟ 3
−
2! 3! ⎝6 2⎠ 3
θ2 θ2
θ sin θ + cos θ = θ − .. + 1 −
2
.. 1 +
2! 2
θ3 ⎛1 1⎞ θ3 θ3
θ cos θ − sin θ = θ − + .. − θ + .. ≈ θ ⎜ − ⎟ 3
−
2! 3! ⎝6 2⎠ 3
θ2 θ2
θ sin θ + cos θ = θ − .. + 1 −
2
.. 1 +
2! 2
tanδ l =0 (k ) → ⎨−
⎧⎪ ( ka )3 ⎫⎪ [ q0 (k ) − 1]
⎬
⎭⎪ ⎡ ⎧⎪ ( ka ) ⎫⎪ ( ka ) ⎤
k →0 3 2 3
⎩⎪
⎢ ⎨1 + ⎬ q0 (k ) − {cot ( ka )}⎥
⎢⎣ ⎪⎩ 2 ⎪⎭ 3 ⎥⎦
θ3 ( ) ⎪ 1 − 1 ka − ( ) ..⎫⎪
⎧
3 3
1 1 ka ka
cot θ ≈ − θ − .. 1
( )
2
θ 3 45 ⎨ ⎬ ka
3 ⎪⎩ ka 3 45 ⎪⎭ 3
⎧⎪ ( ka )3 ⎫⎪ [ q0 (k ) − 1]
tanδ l =0 (k ) → ⎨− ⎬
tanδ l =0 (k ) → ( ka )
[ q0 (k ) − 1]
⎭⎪ ⎡ q (k ) − ( ka ) ⎤
k →0 2
⎩⎪ 3
⎢ 0 ⎥
⎢⎣ 3 ⎥⎦
k →0 ⎡ −3q0 (k ) ( ka )−2 + 1⎤
QUESTIONS ? ⎣ ⎦
Write to: [email protected] PCD STiTACS Unit 1 Quantum Theory of Collisions 174
Select/Special Topics in
‘Theory of Atomic Collisions and Spectroscopy’
P. C. Deshmukh
Department of Physics
Indian Institute of Technology Madras
Chennai 600036
Lecture Number 10
Unit 1: Quantum Theory of Collisions
aγˆl = − ( l + 1)
→ resonant condition
th
in the partial wave
zero energy resonance
PCD STiTACS Unit 1 Quantum Theory of Collisions
175
( ka )
low 2 l +1
energy
l − aγˆl (k )
tan δ l (k ) →
k →0 D+ D− ( l + 1) + aγˆl (k )
low
energy
( ka )
2 l +1
tanδ l (k ) →
k →0
Sl (k ) = cos ( 2δ l ) + i sin ( 2δ l ) ≈ 1 + ( 2iδ l ) for small δ l
low
Sl (k ) ≈ 1 + ( 2icl k 2l +1 ) since δ l → k 2l +1
energy
k →0
=ck 2l
l
2ik 2ik
al (k ) → k 4l
2
Falls rapidly for small k, except for =0 l
PCD STiTACS Unit 1 Quantum Theory of Collisions 176
( ka )
low 2 l +1
energy
l − aγˆl (k )
tan δ l (k ) →
k →0 D+ D− ( l + 1) + aγˆl (k )
tanδ l =0 (k ) → ( ka )
[ q0 (k ) − 1]
k →0 ⎡ −3q0 (k ) ( ka )−2 + 1⎤
⎣ ⎦
if aγˆl = − ( l + 1)
' zero energy resonance '
sin θ θ 2
θ 4 cos θ 1 θ θ3
= 1− + − ..... = − + − .....
θ 3! 5! θ θ 2! 4!
sin θ 1 θ θ3
= − + − .....
2 4 2 θ2 θ 3! 5!
+ − ..... ≈ 1 − + Ο ( z 4 )
z z z
j0 ( z ) = 1 −
3! 5! 6
⎛ 1 z z3 ⎞ ⎛ 1 z z3 ⎞ ⎛1 1⎞ ⎛ 1 1 ⎞
j 0 ( z ) = ⎜ − + − ... ⎟ .... ⎜ − + − − ... ⎟
'
≈ z ⎜ − ⎟ + ⎜ − ⎟ z 3 ...
⎝ z 2! 4! ⎠ ⎝ z 3! 5! ⎠ ⎝ 6 2 ⎠ ⎝ 4! 5! ⎠
⎛ 1⎞ ⎛ 1 1 ⎞ 3
i.e. j0 ( z) ⎜ − ⎟ z + ⎜ −
'
⎟z
⎝ 3 ⎠ ⎝ 24 120 ⎠
PCD STiTACS Unit 1 Quantum Theory of Collisions 178
tanδ l =0 (k ) → ( ka )
[ q0 (k ) − 1] kj0' ( ka ) / j0 ( ka )
with q0 (k ) =
k →0 ⎡1 − 3q0 (k ) ( ka )−2 ⎤ γ 0 (k )
⎣ ⎦
z2
j0 ( z ) 1 − + Ο ( z 4 )
6
⎛ 1⎞ ⎛ 1 1 ⎞ 3 ⎡ ⎧⎛ 1 ⎞ ⎛ 1 1 ⎞ 3⎫⎤
⎢ ⎨⎜ − 3 ⎟ ( ka ) + ⎜ 24 − 120 ⎟ ( ka ) ⎬ ⎥
j 0' ( z ) ⎜ − ⎟ z + ⎜ − ⎟z
⎝ 3 ⎠ ⎝ 24 120 ⎠
⎝ ⎠ ⎝ ⎠
z = ka k ⎢⎩ ⎭⎥
⎢ ( ka ) ⎥
( )
2
1− + Ο ( ka )
4
⎢ ⎥
q0 (k → 0) → ⎣ ⎦
6
γ 0 (k )
ka
×
ka ⎧⎛ 1 ⎞
k ⎨⎜ − ⎟ ( ka ) + ⎜
2 ⎛ 4 ⎞
( )
4⎫
⎬
⎟ ka
⎩⎝ 3⎠ ⎝ 120 ⎠ ⎭
q0 (k → 0) →
⎧⎪ ( ka )2 ⎫
γ 0 (k )ka ⎨1 −
⎪⎩ 6
(
+ Ο ( ka ) ⎬ )
4 ⎪
⎪⎭
PCD STiTACS Unit 1 Quantum Theory of Collisions 179
tanδ l =0 (k ) → ( ka )
[ q0 (k ) − 1] kj0' ( ka ) / j0 ( ka )
with q0 (k ) =
k →0 ⎡1 − 3q0 (k ) ( ka )−2 ⎤ γ 0 (k )
⎣ ⎦
⎛ 1⎞ ⎛ 4 ⎞
⎟( ) ⎜ ⎟( )
⎛ 1⎞ ⎛ 4 ⎞ −
2
+
4
− ( ) + ( ) ⎜
2 4
⎜ ⎟ ka ⎜ ⎟ ka ka ka
⎝
→⎝ ⎠ ⎝ ⎠
3⎠ ⎝ 120 ⎠ 3 120
q0 (k → 0) →
⎧⎪ ( ka )2 ⎫⎪ γ 0 (k )a
γ 0 (k )a ⎨1 −
6
+ Ο ( ka ) (4
)⎬⎪
⎩⎪ ⎭
⎛ 1⎞
− ( ) + Ο ( )
2 4
⎜ ⎟ ka ka
q0 (k → 0) → ⎝ 3⎠
γ 0 (k )a
⎛ 1⎞
− ⎟( )
2
⎜ ka
q0 (k → 0) → ⎝ ⎠
3
γ 0 (k )a
PCD STiTACS Unit 1 Quantum Theory of Collisions 180
tanδ l =0 (k ) → ( ka )
[ q0 (k ) − 1]
......... for l = 0
k →0 ⎡1 − 3q0 (k ) ( ka )−2 ⎤
⎣ ⎦
⎧⎛ 1 ⎞ 2⎫
⎪ ⎜ − ⎟ ( ka ) ⎪
q0 (k → 0) → ⎨ ⎝
3⎠ ⎬
⎪ ⎪
⎧⎛ 1 ⎞ 2⎫ ⎩ γ 0 (k )a ⎭
⎪⎜ − ⎟ ( ka ) ⎪
⎨⎝ 3 ⎠ ⎬ −1
[ q0 (k ) − 1] →
⎪ γ (k )a ⎪
⎩ 0 ⎭
⎡1 − 3q0 (k ) ( ka )−2 ⎤ ⎡1 − 3q0 (k ) ( ka )−2 ⎤
⎣ ⎦ ⎣ ⎦
⎛ 1⎞
− ⎟ ( ) − γ 0 (k )a
2
⎜ ka
→ ⎝
3⎠
⎡1 − 3q0 (k ) ( ka )−2 ⎤ γ 0 (k )a
⎣ ⎦
[ q0 (k ) − 1] →
−γ 0 (k )a
⎡1 − 3q0 (k ) ( ka )−2 ⎤ ignoring ⎡1 − 3q0 (k ) ( ka )−2 ⎤ γ 0 (k )a
⎣ ⎦ weaker ⎣ ⎦
terms
PCD STiTACS Unit 1 Quantum Theory of Collisions 181
tanδ l =0 (k ) → ( ka )
[ q0 (k ) − 1]
......... for l = 0
k →0 ⎡1 − 3q0 (k ) ( ka )−2 ⎤
⎣ ⎦
[ q0 (k ) − 1] →
−γ 0 (k )a
⎡1 − 3q0 (k ) ( ka )−2 ⎤ ignoring ⎡1 − 3q0 (k ) ( ka )−2 ⎤ γ 0 (k )a
⎣ ⎦ weaker ⎣ ⎦
terms
−γ 0 (k )a
tanδ l =0 (k ) → ( ka ) .... for l = 0
k →0 ⎡1 − 3q0 (k ) ( ka ) ⎤ γ 0 (k )a
−2
⎣ ⎦
⎛ 1⎞
− ( )
2
kj0' ( ka ) / j0 ( ka ) ⎜ ⎟ ka
q0 (k → 0) → ⎝ ⎠
3
q0 (k ) = ;
γ 0 (k ) γˆ0 a
where: γˆl = lim γ l (k ) for l ≥ 0
−1
tanδ l =0 ( k ) → ( ka ) .... for l = 0
k →0 ⎡⎛ 1 ⎞ 2⎤
⎢⎜ 3 ⎟( ) ⎥
− ka
1− 3 ⎢⎝ ⎠ ⎥ ( ka )
−2
⎢⎣ γˆ0 a ⎥⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 183
−1
tanδ l =0 (k ) → ( ka ) .... for l = 0
k →0 ⎡⎛ 1 ⎞ 2⎤
⎢ ⎜ − 3 ⎟ ( ka ) ⎥
1− 3 ⎢ ⎝ ⎠ ⎥ ( ka )
−2
⎢⎣ γˆ0 a ⎥⎦
−1
tanδ l =0 (k ) → ( ka ) .... for l = 0
k →0 ⎡ 1 ⎤
1+ ⎢ ⎥
γˆ
⎣ 0 ⎦a
−γˆ0 a
tanδ l =0 ( k ) → ( ka ) .... for l = 0
k →0 [1 + γˆ0 a ]
PCD STiTACS Unit 1 Quantum Theory of Collisions 184
( ka )
low 2 l +1
energy
l − aγˆl
tan δ l ( k ) → .. for l 〉 0
k →0 D+ D− ( l + 1) + aγˆl
−γˆ0 a
tanδ l =0 ( k ) → ( ka ) .... for l = 0
k →0 [1 + γˆ0 a ]
Both cases:
( ka )
low 2 l +1
energy
l − aγˆl
tan δ l (k ) → .. for l ≥ 0
k →0 D+ D− ( l + 1) + aγˆl
what if: aγˆl = − ( l + 1) → resonant condition
in the th partial wave
We shall first consider such resonant conditions for l ≥ 1.
The case l = 0 will be considered later.
PCD STiTACS Unit 1 Quantum Theory of Collisions 185
Consider the ‘next’ term in the low
first, energy approximation and compare its
importance with that of the
≥1 consequence of the resonant condition:
⎡ 1 2 ⎛1 2⎞
2
⎤
⎢ z ⎜ z ⎟ ⎥
zl ⎢1 − ⎝ 2 ⎠
jl ( z ) = 2 + − ....⎥
( 2l + 1)!! ⎢ 1!( 2l + 3) 2!( 2l + 3)( 2l + 5 ) ⎥
⎢ ⎥
⎣ ⎦
zl
jl ( z ) → + Ο ( zl +2 ) Corrections : Ο ( z l + 2 )
z →0 ( 2l + 1) !!
recall: tan δ l (k ) →
k →0 D+ D−
q (k )
( l + 1) + 1
l
l
l + Ο ( k 2a2 )
Use next order term: ql (k → 0) =
aγ l (k )
l + Ο ( k 2a2 )
⇒ ql (k → 0) =
⎡⎣ − ( l + 1) ⎤⎦
⇒ ⎧⎪ l + Ο ( k 2 a 2 ) ⎫⎪
⎨ ⎬ −1
⎪⎩ ⎣ (
⎡ − + )⎦ ⎪⎭
⎤ ( ka )
low 2 l +1
energy l 1
tan δ l (k ) → ×
k →0 D+ D− ⎧⎪ l + Ο ( k 2 a 2 ) ⎫⎪ ( l + 1)
⎨ ⎬ +1
⎩⎪ ⎣ ( )⎦ ⎭⎪
⎡ − l + 1 ⎤ l
PCD STiTACS Unit 1 Quantum Theory of Collisions 188
⎧⎪ l + Ο ( k 2 a 2 ) ⎫⎪
≥1 low
⇒ tan δ l (k ) → ⎩
energy
⎨
⎪ ⎣ ⎡ − ( l + 1 ) ⎤
⎬ −1
⎦ ⎭⎪ ( ka )
2 l +1
k →0 D+ D− ⎧⎪ l + Ο ( k 2 a 2 ) ⎫⎪ ( l + 1)
⎧⎪ l + Ο ( k 2 a 2 ) ⎫⎪ ⎨ ⎬ +1
⎪ ⎡⎣ − ( l + 1) ⎤⎦ ⎪ l
⎨ ⎬ − 1 ⎩ ⎭
⎪ ⎣⎡ − ( l + 1) ⎦⎤ ⎭⎪ ( ka )
low 2 l +1
⎩
energy
⇒ tan δ l (k ) →
k →0 D+ D− Ο ( k 2a2 )
−1 + +1
l
⎧⎪ l + Ο ( k 2 a 2 ) ⎫⎪ ⎧⎪ l2 ⎫⎪
l⎨ ⎬ −1 ⎨ ⎬ −1
( ) ⎪⎣ ( )⎦ ⎪⎭ 2l −1
( ka )
low
2l −1 ⎡ − + ⎤
( ka )
⎡ − + ⎤
low
⎪ ⎣ l 1 ⎦ ⎭⎪ l 1
⇒ tan δ l (k ) → ⎩
energy
⇒ tan δ l (k ) → ⎩
energy
k →0 D+ D− k →0 D+ D−
≥1 low
2l −1
( ka )
energy
⇒ tan δ l (k ) →
k →0
Sl (k ) ≈ 1 + ( 2idl k ) since δ
energy
2 l −1 2 l −1
l → k
k →0
∞
f k (θ ) = ∑ ( 2l + 1) al (k ) Pl (cos θ ) → f k (θ ) : scattering amplitude
l =0
≥1 ⎡1 + ( 2idl k 2l −1 ) − 1⎤
al (k ) = ⎣ ⎦ = d k 2l − 2
l
2ik
PCD STiTACS Unit 1 Quantum Theory of Collisions 190
∞
f k (θ ) = ∑ ( 2l + 1) al (k ) Pl (cos θ ) → f k (θ ) : scattering amplitude
l =0
≥1 ⎡1 + ( 2idl k 2l −1 ) − 1⎤
al (k ) = ⎣ ⎦ = d k 2l − 2
l
2ik
for = 1: k 2l − 2 = k 0 = 1
if/when: aγˆl = − ( l + 1)
→ resonant condition in the th
partial wave
Above,
we first considered resonant conditions for l ≥ 1.
NOW, we consider the case for l = 0.
For l = 0, aγˆl = − ( l + 1) = −1
[ q0 (k ) − 1] →
−γ 0 (k )a
⎡1 − 3q0 (k ) ( ka )−2 ⎤ ignoring ⎡1 − 3q0 (k ) ( ka )−2 ⎤ γ 0 (k )a
⎣ ⎦ weaker ⎣ ⎦
terms
[ q0 (k ) − 1] →
−γ 0 (k )a
⎡1 − 3q0 (k ) ( ka )−2 ⎤ leading ⎡1 − 3q0 (k ) ( ka )−2 ⎤ γ 0 (k ) a
⎣ ⎦ terms ⎣ ⎦
−γˆ0 a
tanδ l =0 ( k ) → ( ka ) .... for l = 0
k →0 ⎡γˆ0 a − 3 ( γˆ0 a ) q0 (k ) ( ka ) ⎤
−2
⎣ ⎦
γˆ0 = lim γ 0 (k )
k →0
⎛ 1⎞
− ( ) + Ο ( )
2 4
kj0' ( ka ) / j0 ( ka ) ⎜ ⎟ ka ka
q0 (k → 0) → ⎝ ⎠
3
q0 (k ) = ;
γ 0 (k ) γˆ0 a
−γˆ0 a
tanδ l =0 (k ) → ( ka )
k →0 ⎡ ⎧⎛ 1 ⎞ 4⎫ ⎤
⎪⎪ ⎜ 3 ⎟ ( )
− + Ο ( ) ⎪ −2 ⎥
2
⎢ ka ka
⎪
⎢γˆ0 a − 3 ( γˆ0 a ) ⎨ ⎝ ⎠
⎬ ( ka ) ⎥
⎢ ⎪ γˆ0 a ⎪ ⎥
⎢ ⎪⎩ ⎪⎭ ⎥
⎣ ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 197
For l = 0, when aγˆl =0 = − ( l + 1) = −1
resonant part
we consider next order term in ( ka )
4
−γˆ0 a
tanδ l =0 (k ) → ( ka ) ×
k →0 ⎡ ⎧⎛ 1 ⎞ 4⎫ ⎤
⎪⎪ ⎜ − 3 ⎟ ( ka ) + Ο ( ka ) ⎪⎪
2
⎢ ⎥
⎢γˆ0 a − 3 ( γˆ0 a ) ⎨ ⎝ ⎠
⎬ ( ka ) ⎥
−2
⎢ ⎪ γˆ0 a ⎪ ⎥
⎢ ⎪⎩ ⎪⎭ ⎥
⎣ ⎦
1
tanδ l =0 (k ) → ( ka ) ×
k →0 ⎡ ⎧⎛ 1 ⎞ 2 ⎫⎤
⎢ −
⎪⎪ ⎜ 3 ⎟ + Ο ( ) ⎪⎥
ka
aγˆl =0 = − ( l + 1) = −1 ⎢( −1) − 3 ( −1) ⎨ ⎝ ⎠ ⎪⎥
⎬
⎢ ⎪ ( )
− 1 ⎪⎥
⎢ ⎩⎪ ⎭⎪⎥⎦
⎣
1 1
tanδ l =0 (k ) → ( ka ) × →
−3 ( ka )
⎡ ⎛ 1⎞
{ 2 ⎤
}
k →0
⎢( ) ⎜ 3 ⎟
−1 − 3 − − 3 × Ο ( ) ⎥
ka
⎣ ⎝ ⎠ ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 198
For l = 0, aγˆl =0 = − ( l + 1) = −1
resonant part
considering the next order term in ( ka )
4
1
tanδ l =0 (k ) →
k → 0 −3 ( ka )
tan δ 0 ( k )
lim a0 (k ) lim = −α
k →0 k →0 k
definition : scattering length
1
lim α → 2 as k → 0,
k →0 k
1
scattering length diverges as 2
tanδ l =0 (k ) → blows up k
k →0
π
tanδ l =0 (k ) → ±∞ when δ l =0 (k ) → ±
2
PCD STiTACS Unit 1 Quantum Theory of Collisions 199
π
Just below θ = ,
2
both sin θ and cos θ
sin θ are positive.
π
Just above θ = ,
2
π sin θ > 0 and cos θ < 0.
0.0 3
π π
2
2
tan θ reverses + ∞ to − ∞
cos θ π 3π 5π
sign at θ = , , ,...
2 2 2
−π π θ
3π π π 3π
− −
2 2 2 2
1 For l = 0, aγˆl =0 = −1
tanδ l =0 (k ) →
k → 0 −3 ( ka ) resonant part
Zero energy resonance
π
tanδ l =0 (k → 0) → −∞, and δ l =0 (k ) → ( modulo π )
2
PCD STiTACS Unit 1 Quantum Theory of Collisions 201
π
as k → 0, δ l =0 (k ) → ( modulo π )
2
∞
f k (θ ) = ∑ ( 2l + 1) al (k ) Pl (cos θ ) → f k (θ ) : scattering amplitude
l =0
S0 (k ) − 1 ⎡ cos 2δ 0 + i sin 2δ 0 − 1 ⎤
a0 (k → 0) = →⎢ ⎥⎦ π
2ik ⎣ 2ik δ0 =
2
⎡ cos π + i sin π − 1 ⎤ −1 − 1 −2 −1 i
a0 (k → 0) → ⎢ ⎥ = = = =
⎣ 2ik ⎦ 2δ0 =π 2ik 2ik ik k
σ total ( k → 0 ) = f k (θ ) d Ω =
i ⎡⎣ f k →0 (θ ) ⎤⎦ l =0 =
∫∫ ∫∫
2
dΩ = 2
k k k
1 ⎛ ⎞ “Zero energy
x − sec blows up as 2 ⎜ i.e. as ⎟ as k → 0
1
k ⎝ E⎠ resonance”
π 3π 5π QUESTIONS ?
δ l =0 ( k → 0 ) = , , ,.....
2 2 2 Write to: [email protected]
Levinson’s Number of
theorem bound states Scattering
of an attractive phase shifts
1949 potential
PCD STiTACS Unit 1 Quantum Theory of Collisions
204
For l = 0, aγˆl =0 = − ( l + 1) = −1
resonant part
considering the next order term in ( ka )
4
1
tanδ l =0 (k ) →
k → 0 −3 ( ka )
tan δ 0 ( k )
lim a0 (k ) lim = −α
k →0 k →0 k
definition : scattering length
1
lim α → 2 as k → 0,
k →0 k
1
scattering length diverges as 2
tanδ l =0 (k ) → blows up k
k →0
π
tanδ l =0 (k ) → ±∞ when δ l =0 (k ) → ±
2
PCD STiTACS Unit 1 Quantum Theory of Collisions 205
tan θ tan θ reverses + ∞ to − ∞
π 3π 5π
sign at θ = , , ,...
2 2 2
low
1 3 2 5 17 7 energy
tan θ = θ + θ + θ + θ + ... tanδ l (k ) k→
→0
k 2l +1
3 15 315 non − resonant
π δ l (k ) → 0 modulo π
−π π θ
3π π π 3π
− −
2 2 2 2
1 For l = 0 resonant part
tanδ l =0 (k ) →
k → 0 −3 ( ka ) aγˆ Zero energy
l = 0 = − ( l + 1) = −1
resonance
π
tanδ l =0 (k → 0) → −∞, and δ l =0 (k ) → ( modulo π )
2
PCD STiTACS Unit 1 Quantum Theory of Collisions 206
For l = 0 when aγˆl =0 = − ( l + 1) = −1 resonant part
Zero energy resonance
π
as k → 0, δ l =0 (k ) → ( modulo π )
2
∞
f k (θ ) = ∑ ( 2l + 1) al (k ) Pl (cos θ ) → f k (θ ) : scattering amplitude
l =0
S0 (k ) − 1 ⎡ cos 2δ 0 + i sin 2δ 0 − 1 ⎤
a0 (k → 0) = →⎢ ⎥⎦ π
2ik ⎣ 2ik δ0 =
2
⎡ cos π + i sin π − 1 ⎤ −1 − 1 −2 −1 i
a0 (k → 0) → ⎢ ⎥ = = = =
⎣ 2ik ⎦ 2δ0 =π 2ik 2ik ik k
σ total ( k → 0 ) = f k (θ ) d Ω =
i ⎡⎣ f k →0 (θ ) ⎤⎦ l =0 =
∫∫ ∫∫
2
dΩ = 2
k k k
1 ⎛ ⎞ “Zero energy
x − sec blows up as 2 ⎜ i.e. as ⎟ as k → 0
1
k ⎝ E⎠ resonance”
π 3π 5π
δ l =0 ( k → 0 ) = , , ,.....
2 2 2
PCD STiTACS Unit 1 Quantum Theory of Collisions 208
LEVINSON’s THEOREM Kgl. Danske Videnskab.
reference Salskab. Mat. Fys.
zero of δ l ( k ) : δ l ( k → ∞ ) = 0 Medd.25 9 (1949)
....... for l = 0 :
δ 0 ( k → 0 ) = n0 π “half-bound” state
⎛ 1⎞
or δ 0 ( k → 0 ) = ⎜ n0 + ⎟ π if there is a (resonant)
⎝ 2⎠
“zero energy resonance” bound state solution
blows 1 π at zero energy.
σ total ( k → 0 ) → when λ0 a = U 0 a =
up 2
k 2
π
δ 0 (k → 0) →
2 δ l ( k → 0 ) = nl π ....... for l ≥ 1
⎡ 2
d2 ⎧ 2
l (l + 1) ⎫ ⎤
⎢− 2
+ ⎨V (r ) + 2 ⎬ − E ⎥ yε l (r ) = 0
⎛ 2m ⎞ ⎣ 2m dr ⎩ 2m r ⎭ ⎦
⎜ − 2 ⎟×
⎝ ⎠
⎡d 2
2m ⎤
=0
U (r ) =
2m
V (r ) ⎢ dr 2 + {−U (r )} + 2 E ⎥ yε l (r ) = 0
2 ⎣ ⎦
2mE
= −γ 2 ⎡ d2 2⎤
⎢ dr 2 {
+ −U ( r )} ⎥ yε l (r ) = 0
− γ
2
r ⎡ d2 2⎤
E = −γ ⎢ dr 2 + {−U (r )} − γ ⎥ yε l (r ) = 0
2
⎣ ⎦
−β 2 discrete
bound state U (r ) = − β 2 for r < a
= 0 for r > a
⎡ d2
⎢ dr 2 + β 2
− γ 2⎤
⎥ εl
y ( r ) = 0 for r < a yεl ( r ) = A sin r β 2
− γ 2
( )
⎣ ⎦
⎡ d2 2⎤
⎢ dr 2 − γ ⎥ yε l (r ) = 0 for r > 0 yε l (r ) = B e −γ r
⎣ ⎦
Continuity at r = a ⇒ tan ( a β 2 − γ 2 )
β 2 −γ 2
=−
γ
PCD STiTACS Unit 1 Quantum Theory of Collisions
tan θ properties..... 211
DISCRETE BOUND STATES of a SPHERICAL
square well attractive potential
U (r ) r = a =0
r continuity at r = a ⇒
E = −γ 2
−β 2 discrete (
tan a β − γ
2 2
) =−
β 2 −γ 2
γ
bound state
2m
U (r ) = 2
V (r )
ξ = a β 2 − γ 2 & η = aγ
−β 2
V ( x)
V0__
x
−a 0 a
PCD STiTACS Unit 1 Quantum Theory of Collisions 214
V ( x)
⎡− 2 d2 ⎤
V0__ ⎢ 2m dx 2 + V ( x) ⎥ψ ( x) = Eψ ( x)
⎣ ⎦
⎡− 2 d2 ⎤ ⎫
⎢ 2m dx 2 + V0⎥ ψ ( x ) = Eψ ( x ) ⎬
⎣ ⎦ ⎭I
x
−a 0 a ⎡− 2 d2 ⎤ ⎫
⎢ 2m dx 2 ⎥ ψ ( x ) = Eψ ( x ) ⎬ E>0
I II III ⎣ ⎦ ⎭II
⎡− 2 d2 ⎤ ⎫
V0 0 V0 ⎢ 2m dx 2 + V0⎥ ψ ( x ) = Eψ ( x ) ⎬
⎣ ⎦ ⎭III
2mE
ψ ( x)}I = Fe −β x
+ De βx
= De βx α =+ 2
2mE @ x = −a :
α =+
− A sin α a + B cos α a = De − β a
2
2m (V0 − E )
β =+ 2 Aα cos α a + Bα sin α a = β De − β a
V0 > E (bound states)
PCD STiTACS Unit 1 Quantum Theory of Collisions 216
V ( x) @ x = a : A sin α a + B cos α a = Ce − β a
V0__ Aα cos α a − Bα sin α a = − β Ce − β a
@ x = −a : − A sin α a + B cos α a = De − β a
x Aα cos α a + Bα sin α a = β De − β a
−a 0 a
I II III
2 A sin α a = ( C − D ) e − β a
V0 0 V0
2 Aα cos α a = β ( D − C ) e − β a
α =+
2mE
2
2 B cos α a = ( C + D ) e − β a
2m (V0 − E ) 2 Bα sin α a = β ( C + D ) e − β a
β =+ 2
B = 0 and C = − D whence 1 1
⇒ tan α a = −
−β a α β
2 A sin α a = 2Ce
i.e. α cot α a = − β
2α A cos α a = −2C β e − β a PCD STiTACS Unit 1 Quantum Theory of Collisions 218
V ( x) α tan α a = β α cot α a = − β
V0__ A = 0 and C = D B = 0 and C = − D
⎡1 1⎤
⎢ α tan α a = − β ⎥ × [α tan α a = β ]
x ⎣ ⎦
−a 0 a ⇒ tan 2 α a = −1
α =+
2mE α : imaginary → β < 0 : contradiction
2
β =+
2m (V0 − E )
2
either or
V0 > E (bound states) 2mV0
put : ξ = α a ξ +η = a
2 2 2
α tan α a = β 2
& η = βa
A = 0 and C = D 2m V0 a 2
=
both ξ & η 2
ξ tan ξ = η
are positive PCD STiTACS Unit 1 Quantum Theory of Collisions 219
Schiff/QM/page 41/Fig.8 radius of the circle
ξ tan ξ = η is determined by the
ξ tan ξ = η π 3π "strength" V0 a 2
π <ξ <
0≤ξ < 2 2
tanθ
2
2
V0 a = 12
2
π π 3π
2m 2 2
12 = 3.4641..
2
⎛ 2m ⎞
V0 a =
2 ξ 2 +η 2 = ⎜ ⎟ V0 a
2
2m ⎝ 2 ⎠
2
circles
V0 a = 4
2
2m 2
V0 a = 12
2
2m
12 = 3.4641..
π 3
ξ= ξ =π ξ= π
2 2
PCD STiTACS Unit 1 Quantum Theory of Collisions 220
Schiff/QM/page 41/Fig.8
ξ tan ξ = η ξ & η are positive
ξ tan ξ = η π 3π
π <ξ <
0≤ξ < 2 2
tanθ
2 Intersections of ξ tan ξ
2m
and circles of radius 2
V0 a 2
π π 3π
2 2
give the bound state energies
⎛ 2m ⎞
ξ + η = ⎜ 2 ⎟ V0 a 2
2 2 2
V0 a 2 = ⎝ ⎠
2m 2
circles
V0 a 2 = 4
2m 2
V0 a = 12
2
2m
12 = 3.4641..
π 3
ξ= ξ =π ξ= π
2 2
PCD STiTACS Unit 1 Quantum Theory of Collisions 221
Schiff/QM/page 42/Fig.9
α cot α a = − β
B = 0 and C = − D
−ξ cot ξ = η
2
V0 a =
2
2m
NO solution
−β 2
V ( x)
V0__
x
−a 0 a
PCD STiTACS Unit 1 Quantum Theory of Collisions 223
DISCRETE BOUND STATES of a SPHERICAL
square well attractive potential
U (r ) r = a =0
r continuity at r = a ⇒
E = −γ 2
−β 2 discrete (
tan a β − γ
2 2
) =−
β 2 −γ 2
γ
2m bound state
U (r ) = 2
V (r )
ξ = a β 2 − γ 2 & η = aγ
Each circle 5
Calculations and graphs
represents a by Sayantan Auddy
particular potential 4 π 3π and Pranav Manangath
< aβ <
of a given strength. 2 2
3π 5π
The number of 3 1.57 < a β < 4.71 < aβ <
times it crosses the n =1 2 2
curve η = − ξ
2 4.71 < a β < 7.85
gives tan ξ
→ξ
the number n=2
of bound states the
potential
↑
holds.
π
= 1.57
2
2m ⎡ 2
d2 ⎧ 2
l (l + 1) ⎫ ⎤
U (r ) = V (r ) ⎢− 2
+ ⎨V (r ) + 2 ⎬ − E ⎥ yε l (r ) = 0
2
⎣ 2m dr ⎩ 2m r ⎭ ⎦
⎡ d2 2m ⎤
=0 ⎢ dr 2 + {−U (r )} + 2 E ⎥ yε l (r ) = 0
⎣ ⎦
2mE ⎡ d2 2⎤
=k ⎢ dr 2 + {−U (r )} + k ⎥ yε l (r ) = 0
2
2
⎣ ⎦
PCD STiTACS Unit 1 Quantum Theory of Collisions 227
U (r ) r=a =0 2mE
2
= k2 > 0
r
U (r ) = − β 2 for r < a
yε l ( r ) = rR ε l (r )
= 0 for r > a
−β 2 ⎡ d2 2⎤
⎢ dr 2 + {−U (r )} + k ⎥ yε l (r ) = 0
U (r ) =
2m
V (r ) ⎣ ⎦
2
⎡ d2 2⎤
⎢ dr 2 + β + k ⎥ yε l (r ) = 0
2
r<a (
yε l (r ) = C sin r β 2 + k 2 )
⎣ ⎦
⎡ d2 2⎤
⎢ dr 2 + k ⎥ yε l (r ) = 0 r>a yε l (r ) = D sin ( kr + δ 0 (k ) )
⎣ ⎦
Continuity at r=a ⇒
( )
C sin a β 2 + k 2 = D sin ( ka + δ 0 (k ) )
( )
C β 2 + k 2 cos a β 2 + k 2 = Dk cos ( ka + δ 0 (k ) )
PCD STiTACS Unit 1 Quantum Theory of Collisions 228
( )
C sin a β 2 + k 2 = D sin ( ka + δ 0 (k ) )
( )
C β 2 + k 2 cos a β 2 + k 2 = Dk cos ( ka + δ 0 (k ) )
1
(
tan a β 2 + k 2 = ) 1
tan ( ka + δ 0 (k ) )
β 2 + k2 k
1 tan(ka ) + tan (δ 0 (k ) )
= ×
k 1 − tan ( ka ) tan (δ 0 (k ) )
k
(
tan a β 2 + k 2 −) k
( )
tan a β 2 + k 2 tan ( ka ) tan (δ 0 (k ) ) =
β +k
2 2
β +k
2 2
⎧
− tan (δ 0 (k ) ) ⎨1 +
k
( ) ⎫
tan a β 2 + k 2 tan ( ka ) ⎬ = tan(ka ) −
k
tan a β 2 + k 2 ( )
⎩ β 2 + k2 ⎭ β 2 + k2
tan (δ 0 (k ) ) =
( )
k tan a β 2 + k 2 − β 2 + k 2 tan(ka)
β 2 + k2 + k tan ( a )
β 2 + k 2 tan ( ka )
tan (δ 0 (k ) ) (
tan a β + k − 2
k
2
)
tan(ka )
β 2 + k2
=
k (
β 2 + k 2 + k tan a β 2 + k 2 tan ( ka ) )
tanδ 0 ( k ) a tan ( aβ ) − β a
α = − lim −α =
k →0 k βa
scattering length tan ( aβ )
α =a−
β
PCD STiTACS Unit 1 Quantum Theory of Collisions 230
Reference: ‘Quantum Theory of Scattering’
U (r ) r=a by Ta-You Wu and Takashi Ohmura
r (Prentice Hall, 1962) page 73
n βa k cot δ = x α δ
−β 2
π
0 0 ≤ βa < ∞>x>0 0 ≥ α > −∞ 0
n = number of 2
bound states π π
* 0 −∞ → +∞
tan δ 0 ( k ) 2 2
α = − lim
k →0 k π
1 1 < βa < π 0 > x > −∞ ∞ >α > 0 π
− = lim k cot δ 0 ( k ) 2
α k →0
3π
tan ( a β ) 1 π < βa < ∞>x>0 0 > α > −∞ π
α =a− 2
β 3π 3π
1+ * 0 −∞ → +∞
tan ( a β ) 2 2
lim α = a −
β →0 β 3π
aβ 2 < β a < 2π 0 > x > −∞ ∞ >α > 0 2π
a− →0 2
β
5π
PCD STiTACS Unit 1
Quantum Theory of
2 2π < β a < ∞>x>0 0 > α > −∞ 2π
Collisions 2 231
Reference: ‘Quantum Theory of Scattering’
U (r ) r=a by Ta-You Wu and Takashi Ohmura
r (Prentice Hall, 1962) page 73
n βa cot δ = x Theorem
k Levinson’s α δ
−β 2
π
0 0 ≤ βa < ∞ > (xk> →
δ0 0 00)≥=α0>×−∞ π 0
n = number of 2
bound states π ⎛ →1+∞ ⎞ π
* δ 0 ( k0 → 0 ) =−∞
⎜ 0 + ⎟ π
tan δ 0 ( k ) 2 ⎝ 2⎠ 2
α = − lim
π
0 > x(>k−∞
δ0 → 0∞)>=α > 0 π
k →0 k
1 1 < βa < π π
− = lim k cot δ 0 ( k ) 2
α k →0
3π
tan ( a β ) 1 π < βa < ∞ > x( >
δ0 k 0→00>)α => −∞ π π
α =a− 2
β 3π ⎛ 1⎞ 3π
1+ * ( )
δ 0 0k → 0 =−∞
⎜ 1→ ⎟ π
+ +∞
tan ( a β ) 2 ⎝ 2⎠ 2
lim α = a −
3π
0 > x(>k−∞
→ ∞0 )> α= >20
β
δ0 π
β →0
aβ 2 < β a < 2π 2π
a− →0 2
β
5π
PCD STiTACS Unit 1
Quantum Theory of
2 2π < β a < ∞ > (x k
δ0 > 0→00>)α=> −∞
2 π 2π
Collisions 2
232
LEVINSON’s THEOREM Kgl. Danske Videnskab.
Salskab. Mat. Fys.
zero of δ l ( k ) : δ l ( k → ∞ ) = 0 Medd.25 9 (1949)
....... for l = 0 :
δ 0 ( k → 0 ) = n0 π “half-bound” state
( ) ⎛ 1⎞
or δ 0 k → 0 = ⎜ n0 + ⎟ π if there is a (resonant)
⎝ 2⎠
“zero energy resonance” bound state solution
blows 1 π at zero energy.
σ total ( k → 0 ) → when λ0 a = U 0 a =
up k 2
2
π
δ 0 (k → 0) →
2 δ l ( k → 0 ) = nl π ....... for l ≥ 1
QUESTIONS ? Write to:
[email protected]
PCD STiTACS Unit 1 Quantum Theory of Collisions 233
Select/Special Topics in
‘Theory of Atomic Collisions and Spectroscopy’
P. C. Deshmukh
Department of Physics
Indian Institute of Technology Madras
Chennai 600036
Lecture Number 12
Unit 1: Quantum Theory of Collisions
Scattering Low energy
length scattering
Levinson’s
Effective range Ultra-Cold
theorem
1949 atoms
PCD STiTACS Unit 1 Quantum Theory of Collisions
234
LEVINSON’s THEOREM Kgl. Danske Videnskab.
Salskab. Mat. Fys.
zero of δ l ( k ) : δ l ( k → ∞ ) = 0 Medd.25 9 (1949)
....... for l = 0 :
δ 0 ( k → 0 ) = n0 π “half-bound” state
⎛ 1⎞
or δ 0 ( k → 0 ) = ⎜ n0 + ⎟ π if there is a (resonant)
⎝ 2⎠
“zero energy resonance” bound state solution
blows 1 π at zero energy.
σ total ( k → 0 ) → when λ0 a = U 0 a =
up 2
k 2
π
δ 0 (k → 0) →
2 δ l ( k → 0 ) = nl π ....... for l ≥ 1
n βa cot δ = x Theorem
kLevinson’s α δ
−β 2
π
0 0 ≤ βa < ∞ > (xk> →
δ0 0 00)≥=α0>×−∞ π 0
n = number of 2
bound states π ⎛ →1+∞ ⎞ π
* δ 0 ( k0 → 0 ) =−∞
⎜ 0 + ⎟ π
tan δ 0 ( k ) 2 ⎝ 2⎠ 2
α = − lim
π
0 > x(>k−∞
δ0 → 0∞)>=α > 0 π
k →0 k
1 1 < βa < π π
− = lim k cot δ 0 ( k ) 2
α k →0
3π
α =a−
tan ( a β ) 1 π < βa <
2 δ∞ 0>(xk> 0→ 00>)α=>π−∞ π
β 3π ⎛ 1⎞ 3π
1+ * ( )
δ 0 0k → 0 =−∞
⎜ 1→ ⎟ π
+ +∞
tan ( a β ) 2 ⎝ 2⎠ 2
lim α = a −
3π
0 > x(>k−∞
→ 0∞)>=α >20
β
δ0 π
β →0
aβ 2 < β a < 2π 2π
a− →0 2
β
5π
PCD STiTACS Unit 1
Quantum Theory of
2 2π < β a < ∞ > (x k
δ0 > 0→00>)α=> −∞
2 π 2π
Collisions 2 236
Reference: ‘Quantum Theory of Scattering’
U (r ) r=a by Ta-You Wu and Takashi Ohmura
r (Prentice Hall, 1962) page 73
n βa k cot δ = x α δ
−β 2
π
0 0 ≤ βa < ∞>x>0 0 ≥ α > −∞ 0
n = number of 2
bound states π π
* 0 −∞ → +∞
tan δ 0 ( k ) 2 2
α = − lim
k →0 k π
1 1 < βa < π 0 > x > −∞ ∞ >α > 0 π
− = lim k cot δ 0 ( k ) 2
α k →0
3π
tan ( a β ) 1 π < βa < ∞>x>0 0 > α > −∞ π
α =a− 2
β 3π 3π
1+ * 0 −∞ → +∞
⎛ tan ( a β ) ⎞
2 2
α = a ⎜1 − ⎟ 3π
aβ ⎠
⎝ 2 < β a < 2π 0 > x > −∞ ∞ >α > 0 2π
2
5π
PCD STiTACS Unit 1
Quantum Theory of
2 2π < β a < ∞>x>0 0 > α > −∞ 2π
Collisions 2 237
U (r ) r=a
r
A new
n βa cot δ = x
kbound α δ
−β 2
π state gets
0 0 ≤ βa < α > −∞
∞ > x > 0 0 ≥negative 0
n = numberαof
Positive 2 formed
bound statesa
indicates π when π
* 0 −∞−∞ to
→ +∞
+∞ 2
repulsive
α = − lim
tan δ ( k )
0
2 the sign
π
potential. 0of
> xthe
k →0 k
1 1 < βa < π >α > 0
> −∞ ∞ positive π
− = lim k cot δ ( k )
α k →0
0 2 scattering
3π length
Negative α
tan ( a β ) 1 π < β a < ∞ > x > 0is 0 >negative
α > −∞ π
αindicates
=a− 2 about to
β 3π 3π
an 1+ * change
0 −∞−∞ to +∞
→ +∞
2 2
attractive from
3π
potential. 2 > x > −∞ ∞ positive
< β a < 2π 0negative >α > 0 2π
2
5π to
PCD STiTACS Unit 1
Quantum Theory of
2 2π < β a < ∞
positive. α > −∞
> x > 0 0 >negative 2π
Collisions 2 238
U (r ) r=a
r
δ 0 ( k → 0 ) = n0π 3π
−β 2
n0 = number of
8
How the bound states 2π
s-wave 6
phase shift 5π
≈ 7.85 ↑
changes 4 π 2 ↓
with the 2 3π
≈ 4.71 ↑
strength 2 ↓
of the β
2 4 6 8
potential π
≈ 1.57 ↑
2
α <0 α
Electron-Atom Collisions
when π + ε < ( a β ) < length
3π
2 α↑ +ve
α +ve 3π 5π
Repulsive potential π
2 2 2 Potential
⎛ tan ( a β ) ⎞ -ve -ve strength
α = a ⎜1 − ⎟
⎝ aβ ⎠ π +ε 2π + ε '
ε '<ε
scattering length α -ve
for an attractive Attractive potential
potential with a
finite range ‘a’ ↑
↑ change of sign
⎛ tan ( a β ) ⎞
α = a ⎜1 − ⎟ of scattering length α
⎝ aβ ⎠
PCD STiTACS Unit 1 Quantum Theory of Collisions 242
r=a
α↑
U (r )
r
U (r ) = − β for r < a
2
= 0 for r > a
−β 2
π 3π 5π
tan ( a β )
when > 1, α is negative 2 2 2
( aβ )
3π
when π + ε < ( a β ) < , π +ε 2π + ε '
⎛ tan ( a β ) ⎞ 2 ε '<ε
α = a ⎜1 − ⎟
⎝ aβ ⎠ α is negative
→ (effective) attractive potential..
but not strong enough to bind
the next bound state
PCD STiTACS Unit 1 Quantum Theory of Collisions 243
tan ( aβ )
β >02
α =a−
β
− β 2 < 0 : repulsive ⇒
U (r ) r=a a tan ( a β )
α =a−
r aβ
U (r ) = − β 2 for r < a ⎛ tan ( a β ) ⎞
α = a ⎜1 − ⎟
aβ ⎠
−β 2 = 0 for r > a ⎝
− β 2 < 0 : attractive
when α is positive
→ (effective) repulsive potential.
k cot (δ 0 ( k ) ) =
−1 tan (δ 0 ( k ) ) ≈ −αk
k →0 α k →0
u lk=→ 0
(k , r → ∞) = lim A ( kr − kα ) = lim Ak ( r − α )
0 k →0 k →0
⎡ d2 ⎤
k →0 ⎢ dr 2 + k − U (r ) ⎥ uε ,l =0 (r ) = 0
2
Linear
⎣ ⎦
relation.
⎡d 2
⎤ 0 ⎡d ⎤2
⎢ dr 2 − U ( r ) ⎥ u ( r
l =0
) = 0 → ⎢ dr 2 ⎥ u 0
(r ) = 0 α Æ intercept
l =0
⎣ ⎦ ⎣ ⎦ r ≥a
u l0=0 (r ) = mr + C .... r a
α:
intersection
of the
asymptote 1st bound state: zero
with r-axis
energy resonance
α→-∞ (most negative)
u lk=→ 0
(k , r → ∞) = lim Al =0 (k ) sin ( kr + δ 0 (k ) )
0 k →0 Positive α indicates no
= lim A ( kr − kα ) = lim Ak ( r − α ) more bound state
k →0 k →0
“repulsive”
Scattering length α for potential.
various attractive potentials
Fig.11.12/page289/C.J.Joachain – ‘Quantum Theory of Collisions’
α:
intersection
of the
asymptote 1st bound state: zero
with r-axis
energy resonance
α→-∞ (most negative)
u lk=→ 0
(k , r → ∞) = lim Al =0 (k ) sin ( kr + δ 0 (k ) )
0 k →0 Positive α indicates no
= lim A ( kr − kα ) = lim Ak ( r − α ) more bound state
k →0 k →0
“repulsive” potential.
Scattering length α for various attractive potentials
Fig.11.12/page289/C.J.Joachain – ‘Quantum Theory of Collisions’
PCD STiTACS Unit 1 Quantum Theory of Collisions 248
Attractive potential
α < 0 but bound uε ,l (r ) = rR ε ,l (r ) supporting 1 bound
state not asymptote r → ∞ state
possible
α:
intersection
of the
asymptote 1st bound state: zero
with r-axis
energy resonance
α→-∞ (most negative)
u lk=→ 0
(k , r → ∞) = lim Al =0 (k ) sin ( kr + δ 0 (k ) ) Positive α indicates no
0 k →0
Negative
Positive
Charge distributions
PCD STiTACS Unit 1 Quantum Theory of Collisions 251
U (r ) r=a =0 “EFFECTIVE RANGE”
r 2mE
2m U (r ) = − β 2 for r < a
U (r ) = 2
V (r ) 2
= k2 > 0
= 0 for r > a
−β 2 uε ,l (r ) = rR ε ,l (r )
Neutron-Proton scattering
ÆSpin dependent
et al.
PCD STiTACS Unit 1 Quantum Theory of Collisions 252
Bose atoms: quantum statistics leads to BEC phase
scattering length
α >0 repulsive interaction
α <0 attractive interaction
α <0
uε ,l (r ) = rR ε ,l (r ) ⎣ ⎦
2
k12
@ E = E1 = , the solution is u1 (k1 , r )
2m
( u u ′ )
⎢ 2 1 0 ∫ 2 1 ⎥ ⎢ 1 2 0 ∫ 1 2 ⎥
R
− u ′ u ′dr − ( u u ′ )
R
− u ′u ′ dr + ( k1
2
− k 2 ) ∫ u1u2 dr = 0
2
⎣ 0 ⎦ ⎣ 0 ⎦ 0
R If R → ∞
[u2 (r )u1′(r ) − u1 (r )u2′ (r )] 0 = ( k ) ∫ u1u2 dr
R 2
2 −k 1
2
' orthogonality '
0
R
u1 (r = 0) = 0
u2 ( R)u1′( R) − u1 ( R)u2′ ( R) = ( k22 − k12 ) ∫ u1u2 dr
u2 (r = 0) = 0 0
R
u1 (r = 0) = 0
⇒ u2 ( R)u1′( R) − u1 ( R)u2′ ( R) = ( k22 − k12 ) ∫ u1u2 dr Eq.2
u2 (r = 0) = 0 0
[ 2 1
ψ ( r )ψ ′ ( r ) − ψ 1 ( r )ψ ′
2 ( r ) ]0
R
= ( k 2
2 − k1 ) ∫ψ 1ψ 2 dr
2
Eq.3
0
R
Eq.4
[ψ 2 ( R)ψ 1′( R) −ψ 1 ( R)ψ 2′ ( R)] − [ψ 2 (0)ψ 1′(0) −ψ 1 (0)ψ 2′ (0)] = ( k22 − k12 ) ∫ψ 1ψ 2 dr
0
sin ( k2 r − δ 0 ( k2 ) )
1
ψ 2 (k2 , r ) =
sin (δ 0 ( k2 ) )
⎡ ⎤
cos ( k1r − δ 0 ( k1 ) ) ⎥ = k1 cot (δ 0 ( k1 ) )
k
ψ1′(k1 , r ) r =0 = ⎢ 1
⎣ sin ( δ 0 ( k1 ) ) ⎦ r =0
⎡ ⎤
sin ( k2 r − δ 0 ( k2 ) ) ⎥ = k2 cot (δ 0 ( k2 ) )
1
ψ 2′ (k2 , r ) r =0 = ⎢
⎣ sin (δ 0 ( k2 ) ) ⎦ r =0
consider now
R
k2 cot (δ 0 ( k2 ) ) − k1 cot (δ 0 ( k1 ) ) = ( k22 − k12 ) ∫ (ψ 1ψ 2 − u1u2 )dr
0 lim R → ∞
261
PCD STiTACS Unit 1 Quantum Theory of Collisions
∞
k2 cot (δ 0 ( k2 ) ) − k1 cot (δ 0 ( k1 ) ) = ( k − k 2
2 1
2
) ∫ (ψ 1 (r , k1 )ψ 2 (r , k2 ) − u1 (r , k1 )u2 (r , k2 ) )dr
0
∞
1
define ρ : ρ ( E1 , E2 ) = ∫ (ψ 1 (r , k1 )ψ 2 (r , k2 ) − u1 (r , k1 )u2 (r , k2 ) )dr
2 0
Caution! Our
ρ (0, E )
k cot (δ 0 ( k ) ) = −
1
+ k 2 + Ο( k 4 ) notation employs
α 2 a symbol for
∞
1 scattering length
ρ (0, E ) = ∫ (ψ 0 (r , 0)ψ E (r , E ) − u0 (r , 0)uE (r , E ) )dr that Bethe has
2 0
used for its
inverse!
PCD STiTACS Unit 1 Quantum Theory of Collisions
262
ρ (0, E )
k cot (δ 0 ( k ) ) = −
1
+ k 2 + Ο( k 4 )
U (r ) r=a α 2
r
∞
1
ρ (0, E ) = ∫ (ψ 0 (r , 0)ψ E (r , E ) − u0 (r , 0)uE (r , E ) )dr
2
−β 2 0
sin ( k1r − δ 0 ( k1 ) )
1
ψ1 (k1 , r ) = u1 (k1 , r → ∞) =
sin (δ 0 ( k1 ) ) ψ ' s and u ' s differ only in the
ψ 2 (k2 , r ) = u2 (k2 , r → ∞) =
1
sin ( k2 r − δ 0 ( k2 ) )
range of the scattering potential.
sin (δ 0 ( k2 ) )
⎣ ⎦ k2 U (r )
PCD STiTACS Unit 1 Quantum Theory of Collisions 263
small − r
In small-r region, wave-functions are
(nearly) INDEPENDENT of energy. k2 U (r )
(ψ 0 (r , 0)ψ E (r , E ) − u0 (r , 0)uE (r , E ) ) ≈ ψ 0 (r , E = 0)2 − u0 (r , E = 0)2
in the small r region
Short range atomic properties are (nearly)
INDEPENDENT of energy.
∞
1 1 1
ρ (0, E ) ≈ ρ (0, 0) = r0 = ∫ ⎡⎣ψ 0 (r , E = 0) 2 − u0 (r , E = 0) 2 ⎤⎦ dr
2 2 2 0
a (k ) =
[ S0 (k ) − 1] cos ( 2δ 0 ) + i sin ( 2δ 0 ) − 1
= Partial
0
2ik 2ik wave
cos ( 2δ 0 ) + i 2sin (δ 0 ) cos (δ 0 ) − 1 sin (δ 0 ) amplitude
=
2ik k
sin 2 δ 0 tan 2 δ 0
⇒ f k →0 (θ )
2
=
k2 k2
sin 2 δ 0 sin 2 δ 0 1
⇒ σ = 4π 4π 2 = 4π 2
k2 k ( sin δ 0 + cos δ 0 )
2 2
( k + k 2 cot 2 δ 0 )
PCD STiTACS Unit 1 Quantum Theory of Collisions 265
−1 r0 4π
cot (δ 0 ( k ) ) = + k and σ=
k →0 kα 2 k 2 (1 + cot 2 δ 0 )
4π 4π
⇒σ = ⇒σ =
⎛ 2 ⎛ −1 r ⎞
2
⎞ ⎛ 2 ⎛ 2 2⎞
−2 + α r0 k ⎞
⎜k + k ⎜ + k⎟ ⎟ ⎜k + k2 ⎜ ⎟ ⎟
2 0
⎝ ⎝ kα 2 ⎠ ⎠ ⎝ ⎝ 2kα ⎠ ⎠
4π 4π
⇒σ = =
⎛ 2 ⎛ 4 − 4α r0 k 2 + α 2 r02 k 4 ⎞ ⎞ ⎛ 4k 2α 2 + 4 − 4α r0 k 2 + α 2 r02 k 4 ⎞
⎜k +⎜ ⎟⎟ ⎜ ⎟
⎝ ⎝ 4 α 2
⎠⎠ ⎝ 4α 2 ⎠
4π
⇒σ =
1 Bethe ' s α is inverse of
k 2 + α −2 − k 2α −1r0 + r02 k 4
4 the scattering length