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