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Ch41. Atomic Structure 41.1 - Schrodinger's Equa:on in 3 - D 41.2 - Par:cular in A "3 - D Box" With Infinite Poten:al Wall

The document discusses the Schrodinger equation in one and three dimensions. It compares the 1D equation, which depends only on position x, to the 3D equation, which depends on x, y, and z positions. The document then examines the solution of a particle confined to a 3D box, where the potential is zero inside the box and infinite outside. The energy eigenvalues of the particle in the 3D box depend on three integers and have a three-fold degeneracy.

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tarek mahmoud
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34 views

Ch41. Atomic Structure 41.1 - Schrodinger's Equa:on in 3 - D 41.2 - Par:cular in A "3 - D Box" With Infinite Poten:al Wall

The document discusses the Schrodinger equation in one and three dimensions. It compares the 1D equation, which depends only on position x, to the 3D equation, which depends on x, y, and z positions. The document then examines the solution of a particle confined to a 3D box, where the potential is zero inside the box and infinite outside. The energy eigenvalues of the particle in the 3D box depend on three integers and have a three-fold degeneracy.

Uploaded by

tarek mahmoud
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
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Ch41.

   Atomic  Structure  
41.1  –  Schrodinger’s  Equa:on  in  3  –D  
41.2  –  Par:cular  in  a  “3-­‐D  box”  with  infinite  
poten:al  wall  

Ph274  –  Modern  Physics  


3/16/2016  
Prof.  Pui  Lam  
Learning  Outcomes  
(1) Understand  how  to  extend  the  1-­‐D  
Schrodinger’s  equa:on  to  3-­‐D  
(2) Understand  the  energy-­‐eigenstate  solu:ons  
to  the  “par:cle  in  a  3-­‐D  box”  model.    
Compare  the  solu:ons  to  those  for    1-­‐D.  
(3) Understand  the  meaning  of  “degeneracy”.  
Compare  1-­‐D  and  3-­‐D  Schrodinger  Equa:on  
! 2 ∂ 2 Ψ(x,t) ∂Ψ(x,t)
1− D : − + U(x)Ψ(x,t) = i!
2m ∂x 2
∂t
For state with definite energy → Ψ(x,t) = ψ (x)e−iEt /!
! 2 d 2ψ (x)
⇒− 2
+ U(x)ψ (x) = Eψ (x)
2m dx
(K.E.) + (P.E.) = Total Energy
! 2 ∂ 2 Ψ(x, y, z,t) ! 2 ∂ 2 Ψ(x, y, z,t) ! 2 ∂ 2 Ψ(x, y, z,t)
3− D :− − −
2m ∂x 2
2m ∂y 2
2m ∂z 2
∂Ψ(x, y, z,t)
+U(x, y, z)Ψ(x, y, z,t) = i!
∂t
For state with definite energy → Ψ(x, y, z,t) = ψ (x, y, z)e−iEt /!
! 2 ∂ 2ψ (x, y, z) ! 2 ∂ 2ψ (x, y, z) ! 2 ∂ 2ψ (x, y, z)
⇒− − −
2m ∂x 2
2m ∂y 2
2m ∂z 2
+U(x, y, z)ψ (x, y, z) = Eψ (x, y, z)
Review particle in a 1-D box:
ψ (x,t) = ψ (x)e−iEt /! = [A cos(kx) + Bsin(k)]e−iEt /! for 0 ≤ x ≤ L
ψ (x = 0) = 0 = ψ (x = L) ⇒ Choose only the sine function
and only certain k's are allowed:
nπ x −i E!n t
⇒ ψ n (x,t) = An sin( )e
L
! 2 ⎛ nπ ⎞ 2 ! ⎛π⎞
2 2 2

En = ⎜⎝ ⎟⎠ = n ⎜ ⎟ (Energy is quantized)
2m L 2m ⎝ L ⎠

Similar  to  
standing  wave  
For  vibra:ng  
string  with  both  
end  fixed.  
Par:cle  in  a  3-­‐D  box  
Inside the box, the potential energy = 0.
! 2 ∂ 2ψ (x, y, z) ! 2 ∂ 2ψ (x, y, z) ! 2 ∂ 2ψ (x, y, z)
− − − = Eψ (x, y, z)
2m ∂x 2
2m ∂y 2
2m ∂z 2

for 0 ≤ x ≤ L; 0 ≤ y ≤ L; 0 ≤ z ≤ L
Infinite potential wall ⇒at x = 0, x = L, y = 0, y = L, z = 0, z = L,ψ (x, y, z) = 0
So, what is expression for ψ (x, y, z)?

Work out solution on the board.


Par:cle  in  3-­‐D  Box  answer  
ψ (x, y, z) = X(x)Y (y)Z(z)
⎛ n πx⎞ ⎛ n πy⎞ ⎛ n πy⎞
3
⎛ 2⎞
= ⎜ ⎟ sin ⎜ X ⎟ sin ⎜ Y ⎟ sin ⎜ Y ⎟ ;
⎝ L⎠ ⎝ L ⎠ ⎝ L ⎠ ⎝ L ⎠
n X = 1,2, 3,...;nY = 1,2, 3,...;nZ = 1,2, 3,...

! 2π 2
EN X ,NY ,N Z = ( n X 2
+ nY + nZ )
2 2

2mL2

3
⎛ 2⎞
The "nomarlization" factor ⎜ ⎟ is to esnure that the total probably=1
⎝ L⎠
L L L

⇒ ∫ ∫ ∫ ψ 2
| (x, y, z) | dxdydz=1
0 0 0
Energy  levels  for  a  par:cle  in  a  3-­‐D  Box  

Degeneracy  =  3    

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