Bab 5 - Vector Spaces
Bab 5 - Vector Spaces
Show that the series expansion is unique for a given set ofφ n ( x ) . The functions φ n ( x )
are being taken here as the basis vectors in an infinite-dimensional Hilbert space.
Answer:
b
Using orthogonality the ¿ ∅ n∨f >¿ a n=∫ ω ( x ) f ( x ) ∅ n ( x ) dx are derived from f and
a
therefore unique.
Show that the components ci are unique, that no different set exists c i. Note. Your
basis functions are automatically linearly independent. They are not necessarily
orthogonal.
Answer:
If f ( x )=∑ Ci ϕ i ( x )=¿ ∑ c j ϕ j ( x ) ¿ then ∑ ( c i−c 'i ) ϕi=0 Let c k−c 'k ≠ 0 be the first non-
'
i j i
1
; ∑
'
zero term. Then ϕ k = (c i−c k )ϕi .
ck −c k i>k
n −1
A function f (x) is approximated by a power series ∑ ci x over the interval [0, 1].
i
5.1.3
i=0
Show that minimizing the mean square error leads to a set of linear equations
Ac=b
Where
1
1
Aii =∫ x
i+ j
dx= ,i , j=0,1,2, … , n−1
0 i+ j+1
And
1
b i=∫ x fdxi=0,1,2, … , n−1
i
Note. The Aij are the elements of the Hilbert matrix of order n. The determinant of this
Hilbert matrix is a rapidly decreasing function of n. For n = 5, detA = 3.7 × 10-12 and
the set of equations Ac = b is becoming ill-conditioned and unstable.
Answer:
n−1
For f ( x )=∑ c i x we have
i
i=0
1 1 n−1
ci
b j=∫ x f ( x ) dx=∑ c i∫ x dx=∑
j i+j
= Aij ci
0 i 0 1=0 i+ j+1
∫¿¿¿
0
With
b
a n=∫ F ( x ) φn ( x ) w ( x ) dx .
a
[ ]
b m 2
∫ f ( x )−∑ c n φn ( x ) . w ( x ) dx
a n=0
is minimized by takingc n=an. Note. The values of the coefficients are independent of
the number of terms in the finite series. This independence is a consequence of
orthogonality and would not hold for a least-squares fit using powers of x.
Answer:
From
b
∂
0= ∫¿ ¿
∂ cl a
[ ]
a m
=2∫ f ( x )−∑ c n ϕn (x ) ϕ n w ( x ) dx
b n=0
We obtain c n∫ f ( x ) ∅n ( x ) w ( x ) dx .
b
∫ [f ( x ) ] dx= π2 h2 ∑ (2 n+1)−2
2
−π n=0
For a finite upper limit this would be Bessel’s inequality. For the upper limit ∞, this is
Parseval’s identity
(b) Verify
∞
π 2 4 h2
2
h= ∑ (2 n+ 1)−2
π n=0
by evaluating the series. Hint. The series can be expressed in terms of the Riemann
zeta function ζ (2) π 2 /6
Answer:
(a) and (b)
π 2 ∞
∫ f (x)2 dx ¿ ( h2 ) 2 π ∑ (2 m+ 1)(2
1
n+1)
−π m , n=0
π
× ∫ sin ( 2m+1 ) x sin ( 2 n+1 ) x dx
−π
∞ 2
1 3 π
Using ∑ = ζ ( 2 ) ,we reach ζ ( 2 ) =
n=0 ( 2n+ 1)
2
4 6
[ ]
b 2 b b
∫ f ( x ) g(x ) dx =∫ [ f ( x ) ] dx ∫ [g ( x ) ]2 dx
2
a a a
b b
−1
∫
2 a
dx ∫ dy [f ( x ) g ( y )−f ( y ) g ( x )] 2
a
Jawab :
b b
1
¿ ⟨ f ∨g ⟩∨¿ =⟨ f ⟩⟨ g ⟩ − ∫ ∫ ¿ f ( x ) g ( y )−f ( y ) g ( x ) ∨¿ dxdy ¿ ¿ implies
2 2 2 2
2a a
1
¿ ⟨ f ∨g ⟩∨¿2 ≤ ⟨ f 2 ⟩ ⟨ g2 ⟩− ¿ because the double integral is nonnegative.
2
5.1.7 ⟨
Starting from I= f −∑ ai φi f −∑ a j φ j ≥0
i | j ⟩
derive Bessel’s inequality ⟨ f |f ⟩ ≥ ∑ ¿ an ∨¿ ¿
2
Answer:
The φ j are assumed to be orthonormal. Expanding I, we have
I =⟨ f ∨f ⟩−∑ ai ⟨ φi∨f ⟩ −¿ ∑ ai ⟨ f ∨φi ⟩ + ∑ ai a j ⟨ φi∨φ j ⟩ ≥ 0 ¿
¿ ¿ ¿
i i i
i i i i
5.1.8 Expand the function sinπx in a series of functions ϕi that are orthogonal (but not
normalized) on the range 0 ≤ x ≤ 1 when the scalar product has definition
1
⟨ f |g ⟩∫ f ¿ ( x ) g ( x ) dx
0
Keep the first four terms of the expansion. The first four ϕi are: ϕ0 = 1, ϕ1 = 2x − 1,
ϕ2 = 6x 2 − 6x + 1, ϕ3 = 20x 3 − 30x 2 + 12x − 1. Note. The integrals that are needed
are the subject of Example 1.10.5.
Answer:
The expansion we need is
⟨ φi ∨sin πx ⟩
sin πx=¿ ∑ φ (x)
i ⟨ φi∨φ i ⟩ i
The necessary integrals are
1 1
1
⟨ φ0 ∨φ0 ⟩=∫ dx=1 , ⟨ φ 1∨φ1 ⟩ =∫ ( 2 x−1 )2 dx= 3
0 0
1
1
⟨ φ2 ∨φ2 ⟩ =∫ ( 6 x −6 x +1 ) dx=5 ⟨ φ3 ∨φ3 ⟩ =
2 2
0
7
1 1
2
⟨ φ0 ∨f ⟩ =∫ sin πx dx= π
⟨ φ1∨f ⟩ =∫ ( 2 x−1 ) sin πx dx=0
0 0
2 24
⟨ φ2 ∨f ⟩= π − 3 ⟨ φ3 ∨f ⟩=0
π
2 2 24
−
π π π3
φ2+ …=0.6366−0.6871 ( 6 x −6 x +1 ) …
2
sin πx= φ0 +
1 1
5
This series converges fairly rapidly. See Fig. 5.1.8.
5.1.9 Expand the function e −x in Laguerre polynomials Ln(x), which are orthonormal on the
range 0 ≤ x < ∞ with scalar product
∞
⟨ f |g ⟩∫ f ¿ ( x ) g ( x ) e−x dx
0
Keep the first four terms of the expansion. The first four Ln(x) are
2−4 x + x 2 6−18 x +9 x 2−x 3
L0=1 , L1=1−x , L2 = , L3 =
2 6
Answer:
−x
e =a0 L0 ( x ) +a 1 L1 ( x ) +a 2 L2 ( x ) +a 3 L3 ( x ) +… ,
∞
a 1=∫ Li (x) e
−2 x
dx
0
1 1 1 1
By integration we find a 0+ , a1= , a2= , a3= thus,
2 4 8 16
2 2 3
−x 1 1 1 2−4 x + x 1 6−18 x +9 x −x
e = ( 1 )+ ( 1−x ) + + +…,
2 4 8 2 16 6
This expansion when terminated after L3 fails badly beyond about x = 3. See Fig.
5.1.9.
5.1.10 The explicit form of a function f is not known, but the coefficients an of its expansion
in the orthonormal set ϕn are available. Assuming that the ϕn and the members of
another orthonormal set, χn , are available, use Dirac notation to obtain a formula for
the coefficients for the expansion of f in the χn set.
Answer:
The forms ∑ ¿ φ i ⟩⟨ φi ∨¿ ¿ and ∑ ¿ φ j ⟩ ⟨ φ j ∨¿ ¿ are resolutions of the identity. Therefore
i j
¿ f ⟩ ∑ ¿ x j ⟩ ⟨ x j ¿ φi ⟩⟨ φi ¿ f ⟩ .
ij
5.1.12 Letting a=a1 e^ 1+ a2 e^ 2∧b=b1 e^ 1 +b2 e^ 2 be vectors in R2for what values of k ,if any, is
⟨ a1|b 1 ⟩ =a1 b1−a1 b 2−a2 b1 +ka 2 b 2
a valid definition of a scalar product?
Answer:
The scalar product ⟨ a|a ⟩ must be positive for every nonzero vector in the space. If we
2
write ha|ai in the form ( a 1−a2 )2 +(k – 1)a , this condition will be violated for some
2
nonzero a unless k > 1.
¿
5.2.1 Following the Gram-Schmidt procedure, construct a set of polynomials pn (x)
orthogonal (unit weighting factor) over the range [0, 1] from the set [1, x, x 2 , . . .].
Scale so that P ∗ n (1) = 1.
ANS. P ∗ n (x) = 1,
P ∗ 1 (x) = 2x − 1,
P ∗ 2 (x) = 6x 2 − 6x + 1,
5.2.2 Apply the Gram-Schmidt procedure to form the first three Laguerre polynomials:
un ( x )=x n ,n=0,1,2 , … ,0 ≤ x <∞ , w ( x ) =e−x
Answer:
The solution is given in the text. Note that a 10=−1 , a20=−2 , a21=4
Answer:
The solution is given in the text. Note that a10 = −2, a20 = −6, a21 =−6 √ 2.
5.2.4 Using the Gram-Schmidt orthogonalization procedure, construct the lowest three
Hermite polynomials:
2
n −x
un ( x )=x ,n=0,1,2 , … ,−ꝏ < x> ꝏ , w ( x )=e .
For this set of polynominals the usual normalization is
∫ hm ( x ) H n ( x ) ω ( x ) dx=⸹mn 2m m! π 1/ 2
−ꝏ
5.2.5 Use the Gram-Schmidt orthogonalization scheme to construct the first three
Chebyshev polynomials (type I):
{
1 π ,∧m=n=0
∫ mT ( x ) ω ( x ) dx =⸹ mn π
,∧m=n ≥1
−1
2
Answer:
Relying without comment on the integral formulas in Exercise 13.3.2, we compute
first
1
⟨ x 0 │ x0 ⟩=∫ ¿ ¿
−1
1
⟨x 1
│ x ⟩ = ⟨ x │ x ⟩= ∫ x ¿ ¿
1 0 2 2
−1
1
⟨ x 2 │ x 2 ⟩ =∫ x 4 ¿ ¿
−1
⟨ x 0 │ x1 ⟩ = ⟨ x 2 │ x1 ⟩=0
⟨ c 0 x 0 │ c 0 x 0 ⟩=│ c 0 │2 ⟨ x0 │ x 0 ⟩ =π
so c0 = 1 and T0 = 1. By symmetry, the polynomial T1, which in principle is a linear
combination of x0 and x1, must actually be an odd function that depends only on x1,
so is of the form c1x. It is automatically orthogonal to T0, and c1 must satisfy
π
⟨ c 1 x │c 1 x ⟩ =│ c 1 │2 ⟨ x │ x ⟩= 2
π
Because ⟨ x │ x ⟩ = , we have c 1=1 and T 1=x
2
The determination of T 1 is a bit less trivial. T 2 will be an even function of x, and will
be of the general form
⟨ T 2 │T 2 ⟩ =│ c2 │2 (⟨ x − 12 ) │ ( x − 12 )⟩
2 2
│ c2 │
2
( 38π − π2 + 14 )=│ c │ π8 = π2
2
2
5.2.6 Use the Gram-Schmidt orthogonalization scheme to construct the first three
Chebyshev
n
un ( x )=x ,n=0,1,2 , … ,−1 ≤ x ≤1 ω ( x )=¿
1 π
U m ( x ) U n ( x ) ω ( x ) dx=δ mn
∫ 2¿
−1
¿
Hint
∫¿¿
−1
π
¿ , n=0
2
Answer:
⟨x 0
│ x 0 ⟩ =∫ ¿ ¿
−1
⟨ x 0 │ x2 ⟩ = ⟨ x 1 │ x1 ⟩= π
8
π
⟨ x2 │ x2 ⟩=
16
π
Taking U0 = c0x0, we find │ c 0 │ ⟨ x │ x 0 ⟩ = , so c0 = 1 and U0 = 1. The Un have
0
2
π π
even/odd symmetry, so U1 = c1x, and │ c 0 │ ⟨ x │ x 0 ⟩ = ,so │ c1 │ = and C1=2
0 2
2 8
U1=2x
finally
⟨ U 2 │ U 2 ⟩ =│ c1 │ 2
⟨( ) ( )⟩
1
4
2 2
x− │ x−
1
4
=
│ c 2 │2 π π
32
=
2
Answer:
The solution is given in the text. Note that a 10=−1/√ π
5.2.8 Form a set of three orthonormal vectors by the Gram-Schmidt process using these
input
1 1 1
c 1=1 c 2=1 c 3=0
1 2 2
Answer:
Let the orthonormalized vectors be denoted bi. First, Make b1 a nor- malized
version of c 1 : b1=c 1 /√ 3. Then obtain b2 (denoting b2 before normalization) as
() ( ) ( )
1 1 √3 −1 /3
b 2=c 2−( b 1 c 2 ) b1= 1 −( 4 √ 3 ) 1 √ 3 = −1 /3
2 1 √3 2 /3
( )(
−1
√6
() ( ) ( )
1 1√ 3
√3 −1 = 1/2
2 1√ 3
)
b 3=c 3−( b 1 c 3 ) b1 −( b2 c 3 ) b2= 0 −( √ 3 ) 1 √ 3 −
2 √6
−1/2
0
2
√6
()
−1
√6
( ) ( )
1 √3 1 / √2
−1
b 1= 1 √ 3 b 1= b 1= −1 / √2
√6
1 √3 0
2
√6
5.3.1 Show (without introducing matrix representations) that the adjoint of the adjoint
of an operator restores the original operator, i.e., that ¿
Answer:
⟨ φ │ Aψ ⟩=¿
we may conclude that ¿
5.3.2 U and V are two arbitrary operators. Without introducing matrix representations
of these operators, show that
Answer:
∫
(ψ2|V (U ψ1)) =
† †
(V ψ2)∗(U†ψ1)d3r
∫
= (UV ψ2)∗ψ1d3r = (ψ2|(UV )†ψ1).
5.3.3 Consider a Hilbert space spanned by the three functions φ 1=x 1 , φ2= x2 , φ3=x 3,
And a scalar product defined by ⟨ x v │ x μ ⟩ =δ vμ
a) Form the 3 x 3 matrix of each of the following operators
( ) ( )
3
∂ ∂ ∂
A1=∑ xi , A 2=x1 −x 2 ( )
i=1 ∂ xi ∂ x2 ∂ x1
b)
c) Form the matrix equation corresponding to χ =( A1 −A 2)ψ and verify that the
matrix equation reproduces the result obtained by direct application of A1− A 2
to ψ.
Answer:
( ) ( )
1 0 0 0 1 0
a). 1 0 1 0 ,
A = A2= −1 0 0
0 0 1 0 0 0
()
1
b). ψ= −2
3
( )( ) ( )
1 −1 0 1 3
c). ( A1 −A 2 ) ψ= 1 1 0 −2 = −1 =x
0 0 1 3 3
5.3.4
d
a) Obtain the matrix representation of A=x( ) in a basis of Legendre
dx
polynomials, keeping terms through P3. Use the orthonormal forms of these
polynomials as given in 5.2.1 and the scalar product defined there.
b) Expand x3 in the orthonormal Legendre polynomial basis
c) Verify that Ax3 is given correctly by its matrix representation
Answer:
a) Ap0=0 , Ap1=
√3 x= p ,
1
2
Ap2=
2 (2 2 )
√7 15 x 3− 3 x =3 p +√ 21 p ,
3 1
Using the above and noting that our basis is the Pn, we construct
( )
0 0 √5 0
A= 0 1 0 √ 21
0 0 2 0
0 0 0 3
( )
0
3
b) x →
√6 /5
0
2 √ 14 /35
c)
( )( ) ( )
0 0 √5 0 0 0
Ax = 0
3 1 0 √ 21 √ 6/5 = 3 √ 6/5
0 0 2 0 0 0
0 0 0 3 2 √14 /35 6 √14 /35
5.4.1
a) A is a non-Hermitian operator. Show that the operators A+ A+ ¿¿ and A−A +¿¿ are
hermitian.
b) Using the preceding result, show that every non-Hermitian operator may be written
as a linear combination of two Hermitian operators
Answer:
a). ¿
1
b). A= ¿
2
5.4.2
Prove that the product of two Hermitian operators is Hermitian if and only if the two
operators commute.
Answer:
+¿=BA =Aif only if [B , A] =0¿
+¿ A ¿
( AB )+¿=B ¿
5.4.3 A and B are noncommuting quantum mechanical operators, and C is given by the
formula
AB−BA=iC
Show that C is Hermitian. Assume that appropriate boundary conditions are satisfied.
Answer:
+ ¿=BA −AB=−iC ¿
+¿=−iC ¿
+¿ −A+¿ B ¿¿
+ ¿A ¿
+ ¿=B ¿
+¿=( iC ) ¿
( AB−BA )
5.4.4 The operator 𝓛 is Hermitian. Show that ⟨ L2 ⟩ ≥ 0, meaning that for all in the space in
which 𝓛 is defined, ⟨ ψ │ L2 │ ψ ⟩ ≥ 0
+¿=BA =Aif only if [B , A] =0¿
+¿ A ¿
( AB )+¿=B ¿
5.4.5
Consider a Hilbert space whose members are functions defined on the surface of the
unit sphere, with a scalar product of the form
⟨ f │ g ⟩=∫ dΩ f ¿ g ,
where dΩ is the element of solid angle. Note that the total solid angle of the sphere is
4 π . We work here with the three functions φ 1=Cx/r , φ2 =Cy/r , φ3 =Cz/r , with C
asssigned a value that makes the φ i normalized.
(
L x =−i y
∂
∂z
−z
∂
∂y
, Ly =−i z
∂
∂x
−x
∂
∂z ) ( )
L z=−i x ( ∂
∂y
−y
∂
∂x )
5.5.1 Show that’s the matrix U of example 5.5.1 correctly transform the vector f(θ,φ)=
3x1+2ix2-x3+x5 to the { x '1} basis by:
(a). (1) making a column vector c that represent f(θ, φ) in the {x1} basis
Answer
()
3
2i
(a) (1) The column vector representing f (θ,φ) is c = −1
0
1
( )( ) ( )
−1/ √ 2 −i/√ 2 0 0 0 3 −1/ √ 2
1/ √ 2 −i/√ 2 0 0 0 2i 5 /√ 2
(2) c ' =¿ 0 0 i/√ 2 1/√ 2 0 −1 = = −i/√ 2
0 0 −i/√ 2 1/√ 2 0 0 i/√ 2
0 0 0 0 1 1 1
( )( )
−1/ √ 2 −i/√ 2 0 0 0 −1/√ 2 1/√ 2 0 0 0
1/ √ 2 −i/√ 2 0 0 0 i/√ 2 −i/√ 2 0 0 0
0 0 i/√ 2 1/√ 2 0 0 0 i/√ 2 i/√ 2 0 =1
0 0 −i/√ 2 1/√ 2 0 0 0 1/ √ 2 1/√ 2 0
0 0 0 0 1 0 0 0 0 1
5.5.2 (a) Given ( ¿ R3 ¿the basis φ 1=x , φ 2= y , φ3=z ,consider the basis transformation x
x → z , y → y , z−x , find the 3 ×3 matrix U for this transformation.
Identify the rotation and reconcile your transformation matrix with an appropriate
matrix S (α, β, γ) of the form given in Eq. (3.37).
(c) Form the column vector c representing (in the original basis) f = 2x − 3y + z, find
the result of applying U to c, and show that this is consistent with the basis
transformation of part (a).
Note. You do not need to be able to form scalar products to handle this exercise; a
knowledge of the linear relationship between the original and transformed functions
issufficient.
Answer
( )
0 0 1
U= 0 1 0
1 0 0
(b) The transformation is counterlockwise rotation of the coordinate system about the
y axis; this correspon to the Euler angles are α=0, β= π/2, ϒ=0. The above U is
reproduced when theses angles are substituted into Eq. (3.37)
()
2
(c) c= −3
1
( )( ) ( )
0 0 −1 2 −1
Uc = 0 1 0 −3 = −3
1 0 0 1 2
5.5.3 Construct the matrix representing the inverse of the transformation in Exercise 5.5.2,
and show that this matrix and the transformation matrix of that exercise are matrix
inverses of each other.
Answer
Since the matrix U for transformation of the exercise 5.5.2 is unitary the inverse
transformation has matrix U, which is
( )
0 0 1
U= 0 1 0
−1 0 0
5.5.4 The unitary transformation U that converts an orthonormal basis {φ i} into the basis {φ 'i
} and the unitary transformation V that converts the basis {φ 'i} into the basis {χi} have
matrix representations
( ) ( )
i sin θ cos θ 0 1 0 0
U = −cos θ i sin θ 0 , V = 0 cos θ isin θ
0 0 1 0 cos θ −isin θ
(b) Form the matrix products UV and VU and then apply each to the vector
represent-ing f (x) in the { φ i} basis. Verify that the results of these applications
differ and that only one of them gives the result corresponding to part (a).
Answer:
( )( ) ( )
isin θ cos θ 0 3 cos θ+3 i sinθ
(a) Uf = −cos θ isin θ 0 −1 = −3 cos θ+i sin θ
0 0 1 −2 −2
( )( )
1 0 0 cos θ+3 i sinθ
V ( Uf ) = 0 cos θ i sinθ −3 cos θ+i sinθ
0 cos θ −i sinθ −2
¿¿
5.5.5 Three functions which are orthogonal with unit weight on the range −1 ≤ x ≤ 1 are P 0
2 2 1
= 1, P1 = x, and P2 = x − . Another set of functions that are orthogonal and span the
3 2
same space are F0 = x2, F1 = x, F2 = 5x2 −3. Although much of this exercise can be
done by inspection, write down and evaluate all the integrals that lead to the results
when they are obtained in terms of scalar products.
(b) Find the unitary matrix U that transforms from the normalized Pi basis to the
normalized Fi basis.
(c) Find the unitary matrix V that transforms from the normalized Fi basis to the
normalized Pi basis.
(e) Expand f (x) = 5x2 − 3x + 1 in terms of the normalized versions of both bases, and
verify that the transformation matrix U converts the P-basis expansion off (x) into its
F-basis expansion.
Answer:
(a) The normalized versions of the Pn, denoted Pn are Pn=√(2 n+1)/2 Pn
1 1
√5 √5
u02 ∫ F0 P2 dx= ∫ 2
(x )(1¿) dx= ¿)
−1 2 −1 3
( )
√5/3 0 2/3
U= 0 1 0
−2 /3 0 √5 /3
( )
√ 5/3 0 −2/3
V= 0 1 0
2/3 0 √5 /3
5.6.1 (a) Using the twi spin fanction φ 1=α , φ 2=β as and orthonormal basis (so ¿ α ∨α >¿) =
¿ β∨β >¿=1, ¿ α ∨β >¿=0) and the relations
1 1 1 −1 1 −1
S x α = β , S x β= α , S y α= iβ , S y β= iα , S z α = α , S z β= β
2 2 2 2 2 2
Answer
(a) The first column of Sx shows the result of its operation on α; the second column
describes Sxβ. Similar observations apply to Sy amd Sz.We get
Sx= ( )
1 0 1
2 1 0
, Sy=
2 i 0(
1 0 −i
, Sz= )
1 1 0
2 0 −1
. ( )
(b) (1) Check that (α+β|α−β) = 0. Expanding, we have (α|αi− hα|βi+hβ|αi − hβ|βi = 1 +
0 + 0 − 1 = 0.
(3) The matrix elements of the transformation are uij = (φ ' 2 {φ ' ¿ ¿ 2)
These evaluate to
U= (1/1/ √√ 22 )
1/√ 2
= (
1 1 1
−1/ √ 2 √ 2 1 −1 )
(c) In the transford basis, the matrix of an operator S becomes S’ = U S U -1. Nothing
that U-1=U, we compute
s ' x =U x S U= ( )( )(
1 1 1 0 1 1 1
=
1 2 0
=
1 1 0
4 1 −1 1 0 1 −1 4 0 −2 2 1 −1
=s z ) ( ) ( )
Similar operation for s y ∧s z yield
s ' y =U S y U =
−1
(
1 0 i
2 −i 0
=−S y )
s ' z=U S z U =
−1
( )
1 0 1
2 1 0
=S z
2 2 2
5.6.2 For the basis φ 1=Cxe−r , φ 2=Cye−r , φ3 =Cze−r where r 2=x 2 + y 2 + z 2, with the scalar
product devined as an unweighted integral over R3 and with C chosen to make the φ i
normalized:
'
(c) Find the basis functions φ 1 defined by the transformation U, and write explicitly
(in term of x, y, z) the functional forms of L x φ'1 , i=1 ,2 , 3
Answer
(a) Apply L x to the φi; L xφ1=0 , L xφ2 =iφ 3 ,∧L xφ 3=−i φ2, therefore the matrix of Lx for
the basis is
( )
0 0 0
L x = 0 0 −i
0 i 0
(b) Form U Lx U−1. U is unitary; this can be checked by verifying that UU’=1 Thus,
( )( )( ) ( )
1 0 0 0 0 0 1 0 0 0 0 0
−1
U Lx U = 0 1/√ 2 −i / √ 2 0 0 −i 0 1/√ 2 1/√ 2 =¿ 0 1 0
0 1/√ 2 i/ √ 2 0 i 0 0 i /√ 2 −i/ √ 2 0 0 −1
(c) The new basis function have coefficients (in terms of the original basis) That are
the column of U’, reading them out, we have
−r 2 C 2
C 2
Applying Lx,
Lφ ' 1= 0
C C C
( y−iz ) e−r = [ iz+i (−iy ) ] e−r = ( y −iz)e−r
2 2 2
Lφ ' 2=¿ Lx
√2 √2 √2
C C C
( y−iz ) e−r = [ iz−i (−iy ) ] e−r = ( y−iz) e−r
2 2 2
Lφ ' 3=¿
√2 √2 √2
5.6.3 The Gram-Schmidt process for converting an arbitrary basis X v into an orthonormal
set φν is described in Section 5.2 in a way that introduces coefficients of the form−
¿ φμ∨γv > ¿. For bases consisting of three functions, convert the formulation so that φ ν
is expressed entirely in terms of the χµ, thereby obtaining an expression for the upper-
triangular matrix T appearing in Eq. (5.81).
Answer:
Define D1, D2, D3 as the determinants formed from the overlap matrix elements of
the first, the first two, and all three basis functions. Letting sij = [Xi |Xj] be the
elements of this overlap matrix, D 1 = S11, D2 = S11S22 − S12S21 etc. By substitution
into the formulas obtained as in Section 5.2, we find the systematic formulas for the
ϕi:
S 12 x1
X 2−
X1 D1
φ ' 1= , φ '2 =
√ D1 √ D1
Comparing with the matrix T as defined in Example 5.6.1, we see that its jth column
consists of the coefficients of the xi in the formula for ϕj. From the above formulas,
we find
( )
T 1 T 12 T 13
T = 0 T 22 T 23
0 0 T 33
With
1 S12 D
T 11 = , T 12= , T 22=√ 1
√ D1 √ D1 D2 D2
D2
T 23 =√
D3
5.7.1 Using the formal properties of unitary transformations, show that the commutator [x,
p] = i is invariant under unitary transformation of the matrices representing x and p
Answer:
[ x ' , p' ¿=x ' p' − p' x ' =(U ¿¿ X U ¿¿−1)(U p U −1)−(U p U −1 )(U X U −1 ) ¿¿
−1 −1
= U (xp− px ) U =UU =i 1.
(
U = cos 2 θ sin 2θ
−sin2 θ cos 2θ )
Answer
We need
'
σ 1=U σ U =1
†
(cos
sin 2θ
2θ
cos 2θ
−sin2 θ
'
)
†
, σ 2=U σ U =
0 −i
i 0
, 2 ( )
'
σ 3=U σ U = 3
†
(−sin
cos 2 θ
2θ
−sin 2θ
−cos 2θ )
New form
' '
σ 1 σ 2= (−ii cossin22θθ −i sin 2θ
−i cos 2 θ
'
=iσ 3 )
' '
σ 2 σ 1= (−iisincos22θθ isin 2 θ
i cos 2 θ ) '
=−iσ 3
L x =−i y ( ∂
∂z
−z
∂
∂y )
2 2 2
(b) verify that L x [(x +iy)e r ]=−z e r and note that this result using the {φ i } the basis,
2 2
(c) Express the equation of part (b) in matrix form, and write the matrix equation that
results when each of the quantities is transformed using the transformation matrix
( )
1 0 0
0 1/√ 2 −i/√ 2
0 1/√ 2 i/√ 2
(i) Regarding the transformation U as producing a new basis {φ' 1 } , find the explisit
form (in x, y, z) of the φ ' 1
(a) Using the operator of Lx and the explicit form of the φ ' 1, verify and validity of
the transformed equations found in part (c)
Answer
(a) From the equations Lxϕ1 = 0, Lxϕ2 = iϕ3, Lxϕ3 = −iϕ2, we see that Lx applied to any
function in the space spanned by ϕ1, ϕ2, ϕ3 a function that remains within that
space. The above equations correspond to the action on the ϕ basis of the
matrix
( )
0 0 0
L x = 0 0 −i
0 i 0
2
−r
(b) L x ( φ 1+iφ 2 )=0+i ( iφ 3 )=−φ3=−z e
( )( ) ( )
0 0 0 1 0
(c) 0 0 −i i = 0
0 i 0 0 −1
( )( ) ( )
0 0 0 1 0
0 1 0 i /√ 2 = i/√ 2
0 0 −1 i /√ 2 −i/ √ 2
(d) The φ ' are those linear combinations of the φ with conficients that are
complex conjugates of the corresponding row of U and are
' −r
2 ( φ2 +iφ 3 ) −r
2
−r
2
([ ( ) ( )] )
L x x+
i y +iz
√ 2 √2
+
i y−iz −r
√ 2 √2
e
2
¿
[ (
i y +iz
√2 √ 2
− )i y −iz −r
√2 √2
e ( )]
2
Which simplifies to