Beruflich Dokumente
Kultur Dokumente
Philip Hwang
May 12, 2016
These are notes on the Modern Physics II course taken at the Oklahoma
School of Science and Mathematics and taught by Dr. Shayne Johnston
during the Spring Semester of 2016. The book used is Modern Physics by
Tipler.
Philip Hwang
Contents
Contents
1 Schr
odinger Formulation of Non-relativistic Quantum Mechanics
1.1 Bound particle in a static potential U (r) . . . . . . . . . . . . . .
1.2 1D Infinite Square Well . . . . . . . . . . . . . . . . . . . . . . .
1.3 3D Box . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
1.4 One Dimensional Hydrogen Atom (Classical Treatment) . . . . .
1.5 Expectation Value of an Operator . . . . . . . . . . . . . . . . .
1.6 3D Bohr Model of Hydrogen Atom . . . . . . . . . . . . . . . . .
1.7 1D Hydrogen AtomQuantum Treatment . . . . . . . . . . . . .
1.8 Energy Eigenfunctions (Quantum Bouncer) . . . . . . . . . . . .
1.9 The Quantum Bouncer . . . . . . . . . . . . . . . . . . . . . . . .
1.10 The Generalized Uncertainty Principle . . . . . . . . . . . . . . .
1.11 Angular Momentum-Quantized in our universe. . . . . . . . . . .
1.12 Angular Momentum Eigenvalues and Eigenfunctions . . . . . . .
1.13 Two Classical Interacting Particles . . . . . . . . . . . . . . . . .
1.14 One Classical Particle in a Central Force Field V (r) . . . . . . .
1.15 Quantum Particle in any Central Force Field . . . . . . . . . . .
1.16 Hydrogenic Atoms- H, He+ , Li++ , etc. . . . . . . . . . . . . .
1.17 Radial Probabilities . . . . . . . . . . . . . . . . . . . . . . . . .
1.18 Transitions-Radiation spectrum . . . . . . . . . . . . . . . . . . .
1.19 Multielectron atoms . . . . . . . . . . . . . . . . . . . . . . . . .
1.20 Spin Angular Momentum . . . . . . . . . . . . . . . . . . . . . .
1.21 Orbital Magnetic Moment of H Atom . . . . . . . . . . . . . . .
1.22 Intrinsic Magnetic Moment of Elementary Particles . . . . . . . .
1.23 Stern-Gerlach Experiment-1922 . . . . . . . . . . . . . . . . . . .
1.24 Addition of Angular Momenta . . . . . . . . . . . . . . . . . . . .
1.25 Efective Magnetic Moment of H atom . . . . . . . . . . . . . . .
1.26 Relativistic (Non-Schr
odinger) Effects on the Energy Levels of an
1.27 Energy Levels of the Hydrogen Atom . . . . . . . . . . . . . . . .
1.28 Relativistic Dirac Theory . . . . . . . . . . . . . . . . . . . . . .
1.29 Hierarchy of Corrections to the Bohr Energy Levels . . . . . . . .
1.30 H Atom in External Magnetic Field . . . . . . . . . . . . . . . .
1.31 Identical Particles+Symmetrization . . . . . . . . . . . . . . . . .
1.32 Two Particles in a 1D Box . . . . . . . . . . . . . . . . . . . . . .
1.33 N particles in a box . . . . . . . . . . . . . . . . . . . . . . . . .
1.34 Spin-State Symmetry? . . . . . . . . . . . . . . . . . . . . . . . .
1.35 Combined spatial+spin-state symmetries . . . . . . . . . . . . . .
1.36 Quick Review for Test . . . . . . . . . . . . . . . . . . . . . . . .
1.36.1 Schr
odinger equation in 3D . . . . . . . . . . . . . . . . .
1.36.2 Quantization . . . . . . . . . . . . . . . . . . . . . . . . .
1.36.3 Hydrogen wave functions . . . . . . . . . . . . . . . . . .
1.36.4 Electron spin . . . . . . . . . . . . . . . . . . . . . . . . .
1.36.5 Spin-orbit coupling . . . . . . . . . . . . . . . . . . . . . .
1.36.6 Exclusion principle . . . . . . . . . . . . . . . . . . . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
H atom
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
5
5
6
6
7
7
8
9
10
11
13
13
14
15
16
17
17
19
20
20
21
23
23
23
24
24
24
25
25
25
25
25
26
27
28
28
29
29
29
29
29
29
29
29
30
31
32
Philip Hwang
2.4
2.5
2.6
2.7
Contents
Boltzmann distribution . . . . . . . . . . .
2.4.1 Boson Gas . . . . . . . . . . . . . .
2.4.2 Fermion Gas . . . . . . . . . . . . .
2.4.3 Photon Gas (Temperature T ) . . . .
The Variational Method for Ground States
Recall the 1D Harmonic Oscillator . . . . .
Hydrogenic Atoms . . . . . . . . . . . . . .
2.7.1 Ground State of Helium . . . . . . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
3 Molecular Physics
3.1 The Covalent Bond . . . . . . . . . . . . . . . . . .
3.1.1 Hydrogen Molecule H2+ . . . . . . . . . . .
3.1.2 Muon-Catalyzed Fusion . . . . . . . . . . .
3.2 Diatomic Molecules . . . . . . . . . . . . . . . . . .
3.2.1 Lennard-Jones Potential (1924) . . . . . . .
3.2.2 Selection Rules for Transitions . . . . . . .
3.2.3 Transition Spectral Lines . . . . . . . . . .
3.3 Light Sources-Emission characteristics . . . . . . .
3.4 Interaction between a material and electromagnetic
3.4.1 Basic Elements of a Laser . . . . . . . . . .
3.4.2 Pumping Mechanisms . . . . . . . . . . . .
3.4.3 He N e lasers . . . . . . . . . . . . . . . .
3.5 Perturbation Theory . . . . . . . . . . . . . . . . .
3.5.1 Applied to the Schrodinger equation . . . .
3.5.2 Examples . . . . . . . . . . . . . . . . . . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
34
35
36
37
40
40
43
43
. . . . . .
. . . . . .
. . . . . .
. . . . . .
. . . . . .
. . . . . .
. . . . . .
. . . . . .
radiation
. . . . . .
. . . . . .
. . . . . .
. . . . . .
. . . . . .
. . . . . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
44
44
44
45
46
46
47
48
48
48
50
50
50
51
51
52
metals .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
. . . . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
55
55
56
57
58
58
59
60
60
60
60
60
61
61
61
5 Nuclear Physics
5.1 Nuclear Binding . . . . . . . . . .
5.1.1 Stability . . . . . . . . . . .
5.1.2 The Strong Force . . . . . .
5.1.3 Binding Energy of a nucleus
5.2 Stability of Nuclei . . . . . . . . .
5.3 Quarks . . . . . . . . . . . . . . . .
5.3.1 Color force . . . . . . . . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
61
62
62
63
63
64
64
65
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
Philip Hwang
5.4
5.5
Contents
Spin . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
5.4.1 Gluons . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
5.4.2 Types of gluons . . . . . . . . . . . . . . . . . . . . . . . . . . . .
5.4.3 Quark confinement . . . . . . . . . . . . . . . . . . . . . . . . . .
5.4.4 Asymptotic freedom . . . . . . . . . . . . . . . . . . . . . . . . .
5.4.5 Model of color-force interaction potential . . . . . . . . . . . . .
Nuclear Models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
5.5.1 The Shell Model . . . . . . . . . . . . . . . . . . . . . . . . . . .
5.5.2 The Liquid Drop Model . . . . . . . . . . . . . . . . . . . . . . .
5.5.3 Free Particle in 3D . . . . . . . . . . . . . . . . . . . . . . . . . .
5.5.4 Infinite spherical well . . . . . . . . . . . . . . . . . . . . . . . .
5.5.5 Shell model of the nucleus . . . . . . . . . . . . . . . . . . . . . .
5.5.6 Refinements of the model . . . . . . . . . . . . . . . . . . . . . .
5.5.7 Semi-empirical binding energy formula (Inspired by Liquid Drop
Model) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
5.5.8 Optimal value of Z for fixed A . . . . . . . . . . . . . . . . . . .
6 The
6.1
6.2
6.3
Weak Interaction
Characteristics of the weak interaction . . . . .
Weak interactions important for nuclear physics
Radioactivity . . . . . . . . . . . . . . . . . . .
6.3.1 Beta Decay . . . . . . . . . . . . . . . .
6.4 Fusion . . . . . . . . . . . . . . . . . . . . . . .
6.4.1 Hydrogen Bomb . . . . . . . . . . . . .
6.4.2 Fusion Reactors . . . . . . . . . . . . . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
7 TBA
7.1 Overview of Quantum Mechanics . . . . . . . . . .
7.1.1 Two Equivalent Frameworks . . . . . . . .
7.1.2 The Postulates of Quantum Mechanics . . .
7.1.3 Particular realizations of Diracs framework
7.2 Relativistic Quantum Mechanics . . . . . . . . . .
7.3 Qubits-Another example of Diracs framework . . .
7.3.1 The Pauli Matrices . . . . . . . . . . . . . .
7.3.2 Successive Spin Measurements . . . . . . .
7.4 The Quantum Measurement Problem . . . . . . . .
7.4.1 Classical View . . . . . . . . . . . . . . . .
7.4.2 Quantum View . . . . . . . . . . . . . . . .
7.5 Bells Inequality (1964) . . . . . . . . . . . . . . .
7.5.1 The Prediction of Local Determinism . . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
65
65
65
65
65
65
66
66
66
66
67
67
67
. 67
. 68
.
.
.
.
.
.
.
68
69
69
69
69
70
70
71
.
.
.
.
.
.
.
.
.
.
.
.
.
71
71
71
71
72
72
73
74
75
75
75
75
76
76
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
1 Schr
odinger Formulation of Non-relativistic Quantum
Mechanics
Quantum state of a particle is described by a wave function (r, t). Observable physical
properties are described by differential operators o. Here are some examples of operators:
Linear Momentum. p
= i~.
= i~r .
Rotational Momentum. L
=
Hamiltonian (Energy). H
1 2
2m p
+ U (r) (TI)
Here, we examine wave equations, like we did in Modern I, but expand it to three
dimensions and with more formalism.
Important 1.1 (Time Dependent Schrodinger Equation)
We can write the TDSE as
H(r,
t) = i~
,
t
~2 2
+ U (r) = i~
2m
t
When solving such an equation, the problem of messy, multiple variables becomes a
problem. We can overcome these difficulties with one method, separation of variables,
where we rewrite the TDSE as
(r, t) = (r)(t).
Doing this gives us
2
~
[ 2m
i~ (t)
2 (r) + U (r)(r)]
t
=
E.
(r)
(t)
Since both sides of independent of the variable on the other side, we introduce the
separation constant E.
d(t)
i
= E(t) (t) = CeiEt/~
dt
~
if n0 6= n. This is the same as saying i j = 0 for two vectors i and j. THis gives the
separated solutions as:
n (r, t) = n (r)eiEn t/~ , n = 1, 2, 3, ...
5
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
(r, t) =
n=1
|Cn |2
P
2,
j=1 |Cn |
where the
rn (r)n (r)
d3 r(
all space
all space
d3 r
=
all space
Cn n (r))(
n=1
Cn0 n0 (r))
n=1
n=1
|Cn |2 = 1
n=1
1.3 3D Box
Imagine the same thing as the last problem but three dimensional. We let the potential
anywhere outside the box to be infinite and the potential inside to be 0. The boundary
conditions are then,
(r) = 0
(0, y, z) = 0, etc.
We are given three lengths of the box L1 , L2 , L3 , where
0 x L1
0 y L2
0 z L3
Again we solve by separation of variables(r) = X(x)Y (y)Z(z). This implies
En1 ,n2 ,n3 =
2 ~2 n21
n2
n2
( 2 + 22 + 32 )
2m L1 L2 L3
Note: When L1 = L2 = L3 , the energy levels exhibit degeneracy (same E but different
state ). We get the wave equation as
n1 ,n2 ,n3 (x, y, z) = C sin(
n1 x
n2 x
n3 x
) sin(
) sin(
).
L1
L2
L3
6
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
Normalization:
Z L3
dz|n1 ,n2 ,n3 (x, y, z)|2 = 1
dy
0
0
r0 r
r
2
2
2
= C =
.
L1 L2 L3
Z
L1
L2
dx
2ke2 1
1
(
),
m x xm
X
0
r
m xm 2
= T = 2
(
) .
ke2 2
Note that we introduce halfway in the calculating above X
x
xm
(r, t)d3 r
all space (r, t) o
R
3
all space (r, t)(r, t)d r
h|
o|i
h|i
In particular,
=
hHi
(r, t)H(r,
t)d3 r
all space
Z
=
all space n0 =1
n=1
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
Z
X
|Cn |2 En .
n=1
vn =
rn = n2 (
~2
) = n2 ao .
mke2
2rn
2rn
2mrn2
= n~ =
vn
n~
( mrn )
p
~2
)
=
n~
=
mke2 rn
mke2
r
2mrn2
m 3
Tn =
= 2
r
2 n
2
ke
mke rn
rn = n2 (
This is an analogue of Keplers 3rd law. Compare this with our one dimensional model.
These two models agree if xn 2rn (diameter). What is missing from our 1D model is
the angular momentum. So we need to go back and incorporate this.
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
Our potential energy U (x) is given by a function that is infinity when x 0 and kex
whenever x > 0. We write the time independent Schr
odinger equation with separated
variables
~2 d2 ke2
(x) E(x) = 0.
2m dx2
x
~2
d
2x
2 d
=
X
=
a0
dx
a0 dX
a0
d2
1
+ ( ) )(X) = 0
2
dX
X
4
As x
d2
1
(x) = 0
2
dX
4
= (x) = ex/2 .
Thus
(X) = AeX/2 .
Next, we will write (X) = f (x) (X) = eX/2 f (X). And so
d2 f
df
+ f (x) = 0.
2
dX
dx x
To solve this, we try a series solution: Write
f (x) =
Cn X n .
n=1
X
df
=
(n + 1)Cn+1 X n
dX
d2 f
dX 2
f (X)
=
X
n=0
(n + 2)(n + 1)Cn+2 X n
n=0
Cn+1 X n .
n=0
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
n=0
~2
= n2
2mEn a20
1
~2
(
), n = 1, 2, 3, ...
n2 2ma20
Note that we will have to incorporate the following effects before the model is satisfactory
* No angular momentum
* No electron spin.
X2
2
X 2 X/2
)e
.
2
For = 3, C4 = C5 = ... = 0.
C1 = C
C2 = C
C
C3 =
6
3
CX
f (X) = CX CX 2 +
6
3
X
3 (X) = C(X X 2 +
)eX/2 ,
6
10
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
2x
a0
2x
na0 .
[n (
0
n0 (
0
2x 2
)] dx = 1
na0
2x
2x
) n (
)dx = 0,
n0 a0
na0
Cn e ~ En t n (
n=1
2x
).
na0
This describes the spreading wave packet bouncing back and forth.
En
F .
dU
= F = constant.
dx
The wave function will diminish after x
n .
It is oscillatory for x x
n .
monotonically decaying for x > x
n .
TISE:
[
~2 d2
+ F x E]E (x) = 0.
2m dx2
2m
2m
F, 2 E
2
~
~
d2
f x + )E (x) = 0.
dx2
E
F ),
11
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
E
= Xn = nth zero of Ai(X)
F
= 2.33810
= 4.08704
= 5.52055
= 6.78670
= 7.94413
X6 = 9.02265
X7 = 10.04017
X8 = 11.00852
X9 = 11.93601
X10 = 12.82877
F Xn
k
~2 F 2 1/3
En = (
) Xn > 0
2m
En =
Normalizing gives
Z
1=
0
1
=
k
E
(x)E (x)dx
kE
F
(X) (X)dX.
Cn Ai(kx + Xn )e ~ En t ,
n=1
where
~2 F 2 1/3
) Xn > 0
2m
2mF
k = ( 2 )1/3
~
Xn = nth zero of Ai(X) < 0.
En = (
12
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
hAi
(r, t)A[(r,
t)]d3 r
(A) =
The interpretation of this means if I look at a system over and over again, A gives the
spread of the results of those measurements.
Theorem 1.5 (Cauchy-Schwarz Variant)
1
B]
i|,
(A) (B) |hi[A,
2
B.
Note that the commutator
for Hermitian operators A,
B]
= (AB
B
A).
[A,
A = x
=x
= px = i~
B
x
[
x, px ](x) = x
p(x) px
(x)
= x(i~)
(i~) (x)
x
x
= i~x
+ i~x
+ i~(x)
x
x
= i~(x)
= [
x, px ] = i~
This means
(x)(px )
~
2
13
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
= i~r
L
x = i~(y z )
L
z
y
y = i~(z
x )
L
x
z
z = i~(x
L
y )
y
x
We introduce spherical coordinates
x = r sin cos
y = r sin sin
z = r cos
After messy bashing, the operators in spherical coordinates become
x = i~(sin + cot cos )
L
y = i~(cos
L
cot sin
)
z = i~
L
2
2 = ~2 [ 1 (sin ) + 1 ]
L
sin
sin2 2
These spherical coordinates give no
x, L
y ] = i~L
z
[L
y, L
z ] = i~L
x
[L
z, L
x ] = i~L
y.
[L
Becomes the commutators are not zero, we can only measure one component of L at a
time. Or
L
= i~L
L
However, we can measure |L| (l) and one component (usually Lz ) (m) simultaneously.
We are almost ready to do it!!!
14
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
m1 r1 + m2 r2
.
m1 + m2
Let V (r) be the interacting potential energy ( kqr1 q1 ). So the forces of the particles are
r V
r r
r V
m2 r2 =
.
r r
m1 r1 =
15
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
Note (r1 , r2 ) (rcm , r). Taking the time derivative twice gives
m2
)r
m1 + m2
m1
r2 = (
)r.
m1 + m2
r1 = (
m2
Note that r cm is constant and that for mm11+m
, we have r = V (r). We have now
2
reduced the two-particle problem to the motion of one reduced particle in a central
force field.
V
r
= r F = 0.
is constant. Remember
This means that L
L = r
dr
.
dt
This implies that the motion is confined to a plane. So now we can use polar coordinates
(r, ). Note p = F.
d
r dt
(r) = V
r +
2
(r)
r
d
= 0.
(r2 )
dt
Note that =
L
.
r2
Is
V
L2
+ 3
r
r
L2
= [V (r) +
],
r
2r2
r =
L
where [V (r) + 2r
2 ] is Veff (r). The centrifugal term means that for sufficiently small r,
Veff (r) would become larger than E > 0, which is impossible. We call that point the
turning point. There is a barrier as to how close to the origin we can get.
16
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
~2 2
+ V (r) = E.
2
1
~2 1 2
~2
1 2
[
] + V (r) = E(r, , )
(r
)
(sin
)
+
2 r2 r
r
2r2 sin
sin2 2
Recall
L2 = ~2 [
1 2
(sin ) +
]
sin
sin2 2
So now we have
2
~2 2
L
(r
)
+
[V
(r)
+
] = E(r, , ).
2r2 r
r
2r2
All of these angular derivatives are here! Construct solution by separation of variables
(r, , ) = R(r)Y (, )
nlm (r, , ) = Rnl (r)Ylm (, ), l = 0, 1, 2, ..., m = l, l + 1, ..., l 1, l
L
2, L
z.
Note that n labels the energies and the nlm is the common eigenstate of H,
R(r) satisfies
~2 2 R
l(l + 1)~2
(r
)
+
[V
(r)
+
]R(r) = ER(r).
2r2 r
r
2r2
~2 2
l(l + 1)~2
(rR)
+
[V
(r)
+
]R(r) = ER(r).
2r2 r2
2r2
U (r)
r .
Therefore
~2 2 U
l(l + 1)~2
+
[V
(r)
+
]U (r) = EU (r)
2 r2
2r2
Because r cannot be negative, we have boundary condition of V (r) = for r < 0. This
means that U (0) = 0. This is a 1-D Schrodinger equation for 0 r .
17
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
kze2
1
,k =
r
40
+
[
+
]u = Eu
me dr2
r
2me r2
(r, , ) = C
Define:
E
2kze2 me
~2 k 2
, Kr, 0
2me
K~2
2
Lets look at boundaries. As , we have that
of
d2 u
d2
u() Ae + Be Ae .
Note that the B term must be zero for the function to vanish. For the next boundary
2
of 0, ddu2 l(l+1)
u, so
2
u() = Cl+1 + Dl Cl+1 .
To continue we peel off the asymptotic behavior:
u() = l+1 e v().
Now we solve the equation for v(). Power series solution for v() blow up like e+ unless
the series terminates. Set the parameter that C = 2n for n = 1, 2, 3, .... The solutions
vn () are called associated Laguerre polynomials. So if
0 = 2n = Kn =
where a
~2
kme e2
z
,
na
~2 Kn2
m3
z2
= [ 2 (ke2 )2 ] 2 .
2me
2~
n
ke2
~c
1
137.036 .
1 Z 2 2
me c2 , n = 1, 2, 3, ...
2 h2
Z2
En = (13.61eV ) 2 .
n
18
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
Zr l 2l+1 2Zr
) Lnl1 (
)Ylm (, )
na
na
n = 1, 2, 3, ....
l = 0, 1, 2, ..., (n 1)
m = l, l + 1, ..., l 1, l
Note 1.9.
1. Degeneracy of En is
n1
X
(2l + 1) = n2
l=0
r0
1 Z 3 me c 3
(
) (
) 6= 0.
n
~
What is the visualization of nlm (r, , )?1. Chemists like to draw density plots. (brightness ||2 ).
2. Surfaces of constant ||2 .
3. Graphs of radial wave function Rnl (r). (See table 7-2, p. 279.)
19
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
hrinlm =
r3 |Rnl (r)|2 dr
hrinlm
So hri1s =
3 a
2 Z , hri2s
a
=
[3n2 l(l + 1)].
2Z
= 6 Za , hri2p = 5 Za .
2c
1
1
1
= ~ = Ei Ef = Z 2 2 me c2 ( 2 2 ).
2
ni
nf
Therefore
1
1
1
= z 2 R( 2 2 ),
nf
ni
where the constant R
2 m e c2
4~c
= 1.097 107 m1 .
Note 1.11. What triggers the electron transition are the fluctuations that randomly
occur in the vacuum.
There is one more factor on the state which is the spin, which can be up or down.
Spin of electrons cannot be derived from mathematics of the Schrodingers equation. But
it enters naturally from Diracs relativistic quantum mechanics. So to add spin in a
nonrelativistic theory, we need to patch up and state somewhat arbitrary rules.
20
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
1
1 1
= ms = , + .
2
2 2
See
S=
p
s(s + 1)~, s 0, ~ 0,
p
l(l + 1)~,
s
0
1
2
1
2
0 1
1 0
, y =
1 0
, z =
0 1
1 0
2
xyz = I =
0 1
3
1
0
2
2
S = ~
.
0 1
4
0 i
i 0
21
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
Now we have
S2 X = s(s + 1)~2 X
Sz X = ms ~X.
Eigenvectors are
1
0
for spin up and
0
1
for spin down. The commutators are
S
Lets review some Classical E& M:
Spinning charge distribution L generates a moment .
Theorem 1.15
Lamours Theorem
||L.
q
qvr
=
L.
2
2m
In general
=g
Q
L,
2M
Q
1
R2 = QR2
2/
2
2
L = I = M R2 .
5
So
g=
( 1 QR2 )(2M )
5
= 2 2
= .
2
QL/2M
2
Q( 5 M R )
q0
~,
2m0
22
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
= gL L.
~
The state nlm gives
2 = (
gL B 2
) l(l + 1)~2 = l(l + 1)(gL B )2
~
B
z = gL
m~ = m(gL B ),
~
= gs
Particle
Electron
Proton
Neutron
s
1
2
1
2
1
2
q0 M
S.
|q0 | ~
sgs
1.001,159,652,187...
2.792, 847,...
-1.913,042,...
F z = z
Bz
.
z
A silver atom with 47 electrons has 1 valence electron. For the 46 inner electrons
Ltotal + Stotal = 0. So the spin is due to the valence electron. The split is when the
electrons either spin up or spin down.
23
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
J
(
J 2 = j(j + 1)~
j2 = mj~,
where mj = j, j + 1, ..., j. Also here is more stuff
(
jmin = |l s|
jmax = |l + s|.
Also |l s j l + s. The total number of angular momentum states is
l+s
X
j=|ls|
L
J2
eff = s J J.
S
s2
L = gL 2m
L
e
s = gs 2m S.
Also
eff =
e gL L + gs S
J,
2m
J2
with
L
= 1 (J2 + L
2 S2 )
J
2
2
L
= [j(j + 1) + l(l + 1) s(s + 1)] ~ .
J
2
This makes
eff =
gJ J,
2m
24
e
gs S B.
2m
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
ke2
1
~c
137
2 mc2
, n = 1, 2, 3, 4, ...
2n2
mc2
2
q
n(j+ 21 )+ (j+ 21 )2 2
1
, j = l , l = 0, 1, ..., (n 1).
2
2
4
1
3
) ...].
2
3
2n
n 2j + 1 8n
Other Effects:
Lamb shift En,j,l .
Hyperfine structure e p .
Effect
Bohr energies
Fine structure
Lamb shift
Hyperfine splitting
e
gJ ~Bext ), j mj j.
2m
25
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
~2
~2 2
~2
1 2 a (x1 )
1 2 b (x2 )
~2
+ U (x1 , x2 ) = E.
2m a (x1 ) x21
2m b (x2 ) x22
We have
U (x1 , x2 ) = U (x1 ) + U (x2 ) (External forces only and noninteracting particles).
U (x1 , x2 ) =
ke2
|x1 x2 |
(Interparticle force).
~2 1 2 a
~2 1 2 b
+
U
(x
)]
+
[
+ U (x2 )]
1
2m a x21
2m b x22
E1 [
~2 1 2 a
+ U (x1 )]
2m a x21
E2 [
~2 1 2 b
+ U (x2 )]
2m b x22
E = E1 + E2 .
Remember that for (x1 , x2 ) = n (x1 )n0 (x2 )
q
n (x1 ) = 2 sin( nx1 ) E1 = n2 2 ~22
L
2mL
qL
0 (x2 ) = 2 sin( n0 x2 ) E2 = n02 2 ~2 .
n
2mL2
Assume that n = 4, n0 = 3.
(x1 , x2 ) = 4 (x1 )3 (x2 )
2
4x1
3x2
= sin(
) sin(
).
L
L
L
Two-particle probability density is
P (x1 , x2 ) = |(x1 , x2 )|2
2
4x1
3x2
= ( )2 sin2 (
) sin2 (
).
L
L
L
26
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
Note normalization
Z
dx2 P (x1 , x2 ) = 1.
dx1
0
1
2
(x1 , x2 ) =
2
4x1
3x2
3x1
4x2
[sin(
) sin(
) sin(
) sin(
)].
L
L
L
L
L
The probability that both particles would be found on the left hand side of the box is
Z L
Z L
2
2
2 2
4x1
3x2
3x1
4x2 2
dx1
dx2 (
) [sin(
) sin(
) sin(
) sin(
)]
P =
L
L
L
L
L
0
0
64
1
=
4 49 2
(
.382(symmetric)
= .250 .132 =
.118(antisymmetric).
this tendency for symmetric to be more likely to be together and antisymmetric to not is
called Exchange force (not really a force). Bosons are symmetric and fermions are
antisymmetric.
Noninteracting-S , A correspond to the same energy.
Two electrons (repel)-A corresponds to a lower energy (because they tend to be
farther apart).
Philip Hwang
Schr
odinger Formulation of Non-relativistic Quantum Mechanics
{}
n (x1 )n0 (x2 ) + n0 (x1 )n (x2 ) {}
{} + {}
Antisymmetric (fermions/repel)
{}
n (x1 )n0 (x2 ) n0 (x1 )n (x2 ) {}
{} + {}
If they are in the same state n0 = n they must have opposite spins.
Important 1.20 (Pauli Exclusion Principle)
No indistinguishable fermions may occupy the same individual-particle state (i.e.,
have the same set of quantum numbers).
Fermions
Half-integer spin
Obey the Exclusion Principle
System is in an antisymmetric state
Exchange force is repulsive
Particle
Electron e
Proton p
Neutron n
Neutrino
Omega
Bosons
Integer spin
Exclusion Principle does not apply
System is in a symmetric state
Exchange force is attractive
28
s
1
2
1
2
1
2
1
2
3
2
Philip Hwang
Particle
Pion +
Alpha Particle
Photon
Deuteron
Graviton
s
0
0
1
1
2
p
l(l + 1)~, l = 0, 1, 2, . . .
Lz = m~, m = 0, 1, 2, . . . , l
En = (
kZe2 2
Z2
)
= 13.6 2 eV
2
~
2n
n
V 1/3
) .
N
h
.
2mE
And
3
hEi = kb T,
2
where kb = 1.38 1023 J/K. Classical description is valid if d, so
(
N
h3
)
1
V (3mkb T )3/2
29
Philip Hwang
N
V
Examples
Ordinary gas at room temperature is classical
Conduction electrons in a metal are governed by quantum mechanics
The energy distributions depend on the nature of the particles.
Example-Two particles A + B, three energy states available.
1. Distinguishable classical particles
E2
E1
AB
E3
AB
AB
A
B
A
B
B
A
A
B
B
A
B
A
E2
E3
2. Indistinguishable bosons
E1
AA
AA
AA
A
A
A
A
A
A
3. Indistinguishable fermions
E1
A
A
E2
A
A
E3
A
A
Philip Hwang
System
Bound systems with discrete energies
g(E)
Degeneracy of energy level E
g(E) = C E
g(E) =
DE 2
3/2 V
C [ (2s+1)m
2 2 ~3
D=
[ 2 ~V3 c3 ]
1 E/kb T
.
Ae
1
AeE/kb T
+1
1
AeE/kb T
0
= E
, n = 1, 2, 3, ...
n2
2
= 2n
And
n(E) = A1 g(E)eE/kb T .
How many are in the ground state compared to other states?
n2
A1 g2 eE2 /kB T
= 1 E /k T = 4e(E2 E1 )/kB T .
n1
A g1 e 1 B
(E2 E1 ) = E0 (
1
1
2 ) = 10.2eV.
2
2
1
n2
n1
= 4e392 1.
2 ~2 2
(n + n2y + n2z ).
2mL2 x
31
Philip Hwang
= E =
= ( 2 2 )
2 ~
2 ~2 2 E
m3/2 V
] E.
=[
2 ~3 2
g(E) =
2 ~2 3 N 2/3
(
) ,
2me V
32
Philip Hwang
N
atoms
=
= 5.86 1028 m3 .
V
volume
So
2 ~2
3
( 5.86 1028 )2/3
2(9.11 1031 )
= 8.8 1019 J
EF 0 =
= 5.5eV.
Note 2.3. At room temperature T = 300K, classical physics predicts
3
hEi = kB T .04eV.
2
Look at how remarkably smaller this is than quantum mechanics even at T 0.
EF 0
E1 g(E)dE
Etotal =
0
3
3
= N EF 0 ( = hEi = EF 0 ).
5
5
So
2
~2 N 5/3
p = (3 2 )2/3
( ) .
5
2m V
This is a completely quantum mechanical effect called Quantum degeneracy pressure
(p vanishes at classical limit). This is the same pressure that goes against the gravitational
pressure of a star.
Z
n(E)dE = N
n(E) = f (E)g(E),
33
Philip Hwang
where f (E) is the distribution function and g(E) is the density of states. Note
, bosons,
AeE/kB T 1
and
(
C E, m 6= 0
g(E) =
DE 2 , m = 0.
Note that
R
0
1 m3/2 V E/kB T
[
] Ee
.
AB 2 2 ~3
1 m3/2 V
nB (E)dE = [
]
A 2 2 ~3
EeE/kB T dE =
EeE/kB T dE.
AB = (
3/2 .
2 (kB T )
This implies
V mkB T 3/2 1
d3
)(
)
v
1
N
2
~3
3
The condition that AB 1 is what makes f (E) approach the classical condition. The
normalized version of the Boltzmann distribution is
nB (E) =
E/k T
2N
B
Ee
.
3/2
(kB T )
Note that ~ has cancelled out and E = 12 mv 2 . This is also known as Maxwells
distribution of kinetic energy. Now we can calculate expectations. Thusly
Z
1
3
hEi =
EnB (E)dE = kB T.
N 0
2
Now we can derive the distribution of speeds
n(E)dE = n(v)dv
dE
= mv.
dv
We get for Maxwells Distribution of molecular speeds
n(v) = 4N (
m
2
)3/2 v 2 emv /2kb T .
2kB T
Note normalization
Z
n(v)dv = N.
0
34
Philip Hwang
To get vmax ,
dn
= 0 = vmax =
dv
2kB T
.
m
For hvi,
1
hvi =
N
vn(v)dv = hvi =
0
8 kB T
.
m
For vrms
s
vrms
p
= hv 2 i =
1
N
v 2 n(v)dv
3kB T
.
m
Note that vrms checks out with hEi. For a N2 molecule at T = 300K,
s
8 (1.38 1023 )(300)
= 475m/s.
hvi =
(4.68 1026 )
Now that we have done the Boltzmann distribution, what about AF D and ABE ?
Z
Z
(2s + 1)m3/2 V
dE
N=
n(E)dE = [
]
E
.
E/k
2
3
(Ae B T 1)
2 ~
0
0
Let x =
E
kB T :
N=
2 2 ~3
Z
0
xdx
.
1)
(Aex
Aex
Z
(2s + 1)V (mkB Tc )3/2
xdx
N=
x
(e 1)
2 2 ~3
0
2
2~
N 2/3
Tc =
(
) .
3/2
2.61V
mkB (2s + 1)
Note that (3) 2.61. Numerically we have
Tc = [(1.50 109 )eV m2 K]
(N/V )2/3
(2s + 1)2/3 mc2
Philip Hwang
Z
(mkB T )3/2 V (2s + 1)
xdx
N = N0 +
x
2
3
(e 1)
2 ~
0
N
T
1=
+ ( )3/2
N0
Tc
N
T
=
= 1 ( )3/2
N0
Tc
2.4.2 Fermion Gas
Conduction electrons in a metal. s = 21 . Remember
1
fF D (E) =
E/k
Ae B T + 1
3/2
2m V
g(E) = [
] E
2 ~3
We have
Z
n(E)dE =
fF D (E)g(E)dE = N
0
= A
A = eEF /kB T
1
fF D (E) = (EE )/k T
F
B
e
+1
2 2
3N 2/3
Recall at T = 0 EF 0 = 2m~e ( V
) . Also fF D (EF ) = 21 , which defines EF .
Lets look at the limit as T 0. We need to look at two cases:
1. E < EF : fF D (E) = 1
36
Philip Hwang
2. E > EF : fF D (E) = 0.
What about T 6= 0? Then fF D depends only weakly on T (corners are round). We have
for the power expansion of the Fermi energy
EF EF 0 [1
2 kB T 2
) + ]
(
12 EF 0
2 (kB T )2
= 104 eV
12 EF 0
SMALL! This means that room temperature is cold to the conduction electrons in
a metal.
Definition 2.9 (Fermi temperature).
kB TF = EF 0
(How hot you would have to have the classical gas to be equal to the energy of the fermion)
For silver this temperature becomes TF = 6.36 104 K.
Definition 2.10 (Fermi speed). Solve
1
mv 2 = EF 0 .
2 F
This gives for Silver vF = 1.39 106 m/s at T = 0.
2.4.3 Photon Gas (Temperature T )
Photon gasses include
Thermal radiation
Blackbody radiation
Cavity radiation
Photons are bosons so
fBE (E) =
1
AeE/kB T
8V 2
]E
h3 c3
Philip Hwang
Now we will derive 1. What is different here is that we are not counting energy states
but waves. These are EM waves in a 3-dim. cubic box of side L. For a 3-dim standing
wave we have
my y
mx x
mz z
(x, y, z, t) = C sin(
) sin(
) sin(
) cos(2f t),
L
L
L
where (mx , my , mz ) are the number of lobes along each direction antinodes. We have
f = |m|
where |m| =
V
,
2L
q
m2x + m2y + m2z . We have an antinode space. The number states,
m2 L
V
m=
Note 2.11.
2Lf
v
dnstates
4L3 2
=
f df.
df
V3
1. v = c
2. 2 independent polarizations
So
dnstates
8V
= 3 f 2.
df
c
Now g(E)
dnstates
dE
and since E = hf
dnstates df
df
dE
8V
1
= ( 3 f 2 )( )
c
h
g(E) =
8V 2
]E .
h3 c3
The total number of photons contained in the volume V at temperature T is
Z
N=
f (E)g(E)dE
0
Z
8V
E2
=
[ 3 3 ] E/k T
dE
h c (e B 1)
0
Z
x2 dx
8V
3
T 3,
= 3 3 (kB T )
x 1)
h c
(e
0
= g(E) = [
38
Philip Hwang
where the integrand
2
R
x2 dx
(ex 1)
N
(2 107 K3 m3 )T 3 .
V
The total photon energy contained in volume V at temperature T :
Z
Ephotons =
Ef (E)g(E)dE
0
Z
x3 dx
8V
4
= 3 3 (kB T )
T4
h c
(ex 1)
0
R 3 dx
4
Note that the integral 0 (exx 1)
= 15 and that this is basically the Stefan-Boltzmann
expression.
Important 2.12 (Stefan-Boltzmann Law)
Ephotons c
V
4
= I = T 4
I=
This gives
4
W
2 5 kB
= 5.67 108 2
.
3
3
15 h c
m K4
hf 3
(ehf /kB T
8V
df
1) c3
1 dEphotons
hf 3
8
= hf /k T
,
b
V
df
(e
1) c3
Philip Hwang
a (x)b (x)dx = 0, if a 6= b
H|i
=
Cn En |n i
h|H|i
=
Cm
Cn En hm |n i =
|Cn |2 En E0
|Cn |2 ,
m
with
h|H|i
E0 ,
h|i
for any |i with h|i = 1 if |i is normalized. The goal now is to get a trial functions
closer and closer to the real wave functions, which will make the upper bound closer and
closer to the actual ground state energy.
40
Philip Hwang
Example 2.15
Try (x) =
We have
1
,
(x2 +)
hEi =
~2 d2
1
2 2
(x)[ 2m dx2 + 2 m x ] (x)dx
R
(x) (x)dx
= hEi =
~2 1
1
+ m 2 E0
2m 2
1
1
E0 hEimin = ~( 2 + ).
2
2
Example 2.16
Try
(
( 2 x2 ), |x| <
(x) =
0,
|x| > .
We have
1
5 ~2
+ m 2 2
2
4 m
14
r
d
35 ~
2
= 0 = 0 =
d
2 m
1
= E0 hEimin = 0.6~ = 1.2( ~)
2
hEi = =
d
m
1
= 0 = 0 =
= 2
d
2~
2a
1
E0 hEimin = ~,
2
hEi = =
41
Philip Hwang
Example 2.18
2
Try (x) = xex . The wave function of the first excited state is in this family.
3~2
3m 2 1
+
2m
8
d
3
= 0 = E0 hEimin = ~
d
2
hEi =
~2 F 2 1/3
) Xn , n = 1, 2, 3, ...
2m
~2 F 2 1/3
) .
2m
42
Philip Hwang
Experiment gives Egs = 78.975eV, where |Egs | is the required energy to strip off both
electrons. Ionization energy for one electron is...?
Ei = Egs = 79eV
4
Ef = 2 (13.6eV) = 54.4eV.
1
So
W = Ef Ei
= (54.4) (79.0) = 24.6eV
Use variational method to obtain an upper bound on Egs .
If there is no e e repulsion, we get an equation that is separable
0 (r1 , r2 ) =
r
|
a0
1
2
43
Philip Hwang
Molecular Physics
So
ke2 2
5
[2z 4z(z 2) z]
2a0
4
2
= ke [2z 2 + 27 z]
hHi
2a0
4
dhHi
27
0=
= 0 = 4z +
dz
4
27
= 1.69
= zeff =
16
min = 77.5eV.
= hHi
=
hHi
3 Molecular Physics
3.1 The Covalent Bond
3.1.1 Hydrogen Molecule H2+
There are two protons and an electron. The distance between
p the protons is r0 and the
two other distances are r1 , r2 . Note that r1 = r and r2 = r2 + r02 2rr0 cos . The
plan right now is to find the energy of one electron alone due to interaction of both
protons. Later, well add in p p repulsion.
Choose trial function
= A[0 (r1 ) + 0 (r2 )].
This is the LCAO technique. Remember normalization condition
Z
Z
Z
Z
2 3
2
2 3
2 3
1 = || d r = |A| [ |0 (r1 )| d r + |0 (r2 )| d r + 2 0 (r1 )0 (r2 )d3 r]
= |A|2 (2 + 2I)
1
|A|2 =
2(1 + I)
I = er0 /a0 [1 + (
r0
1 r0
) + ( )2 ].
a0
3 a0
44
Philip Hwang
Molecular Physics
So
2
= A[ ~ 2 ke2 ( 1 + 1 )][0 (r1 ) + 0 (r2 )]
H
2m
r1 r2
1
1
= E1 Ake2 [ 0 (r1 ) + 0 (r2 )].
r2
r1
hHi
= E1 2|A|2 ke2 [h0 (r1 )|
= E1 2
hHi
1
1
|0 (r1 )i + h0 (r1 )| |0 (r2 )i]
r2
r1
1
ke2
1
1
[a0 h0 (r1 )| |0 (r1 )i + a0 h0 (r1 )| |0 (r2 )i]
2(1 + I) a0
r2
r1
With D = a0 h0 (r1 )| r12 |0 (r1 )i and X = a0 h0 (r1 )| r11 |0 (r2 )i. We get
= [1 + 2
hHi
(D + X)
]E1 .
(1 + I)
ke2
a0
= 2 E1 .
r0
r0
x0
a0 .
F (x) = 1 +
2 (1 23 x2 )ex + (1 + x)e2x
{
}.
x
1 + (1 + x + 13 x2 )ex
Bonding will occur if the graph for F (x) goes below 1 (Etotal < 13.6 eV). The
which gives Ebinding =
equilibrium separation turns out to be approximately 2.4a0 = 1.3A,
and Ebinding =
1.8 eV, where Ebinding = |Etotal | |E1 |. From experiment r0 = 1.06A
2.7 eV.
3.1.2 Muon-Catalyzed Fusion
Construct hydrogen molecule ion with a muon in place of the electron. Note that the
mass of a muon is
m = 206.77me .
45
Philip Hwang
Molecular Physics
Note
a0 =
~2
1
.
kme2
m
So
1
r0 |e ,
207
and fusion probability is appreciable. The problem with muons is that they dont live
as long as electrons. So this was not an economical replacement for regular fusion with
electrons. Sometimes the muon gets stuck and cant go on to catalyze additional reactions
(sticking problem). But because of it, it is just below being economically viable, and
people have pretty much abandoned this idea.
r0 | =
r0 = .074 nm
Uatoms = 2 (13.6 eV)
Umin = 32.8 eV.
r0 12
r0
) 2( )6 ] + Uatoms
r
r
rmin = r0
Umin = Uatoms + (U0 ).
We can expand as a taylor series about r0
1 dU
1 d2 U
|r=r0 (r r0 ) +
|r=r0 (r r0 )2 +
1! dr
2! dr2
1
U (r) U (r0 ) + k(r r0 )2 ,
2
U (r) U (r0 ) +
Erot =
l(l + 1)~2
2r02
l = 0, 1, 2, . . .
ml = l, l + 1, . . . , l.
46
Philip Hwang
Molecular Physics
Note 3.2.
Evib Erot .
So we have that
E,l = Evib + Erot
E = Umin + E,l .
2r02
2r02
~2
= 2
r0
(1.055 1034 )2
=
(.671 1.66 1027 )(.074 109 )2
= 1.82 1021 J
E0,1 E0,0 =
= 0.011 eV.
And
1
1.82 1021
= 3exp[
]
10
(1.38 1023 )T
= T 40 K.
For each electronic state of the molecule, there are closely-spaced vibrational levels and
even more closely-spaced rotational levels.
3.2.2 Selection Rules for Transitions
We need both
= 1 [if same state, no permanent electric dipole moment]
l = 1 [corresponds to emission or absorption of a spin-1 photon].
47
Philip Hwang
Molecular Physics
r
0
r0
So we get equally spaced spectral lines. From the spacing we can figure out r0 and from
the gap we can figure out the spring constant k.
Example 3.4 (HCl absorption spectrum)
27 kg.
Lets find (a) r0 and (b) k. First = (1.01)(35.5)
(1.01+35.5) = .982 u = 1.63 10
f = 6.0 1011 Hz and E = h f = (6.63 1034 )(6.0 1011 ) = 4.0 1022 J.
Solving for r0 gives us
r0 = 1.3 1010 m.
For k, the hole falls at f 8.65 1013 Hz. So
r
k
~
= hf = (6.63 1034 )(8.65 1013 ) = 5.73 1020 J
m
= k = 482 N/m.
What a stiff spring!
48
Philip Hwang
n(E)E dE
V
df ,
Molecular Physics
where
dE
df
= h. So
V
Bnotes .
h E
1=
N2
eE2 /kB T
)eq = E /k T = eE/kB T
N1
e 1 B
8V
1
3 3 (E)2
neq = E/k T
B
(e
1) h c
Remit
= 1.
Rabs
Aspon
h3 c3
Bstim
(1 eE/kB T ) + eE/kB T
.
2
Babs 8V (E)
Babs
Aspon , Babs , Bstim should not depend on T , so T -dependence must cancel out.
So we have that
Bstim
=1
Babs
Aspon
8V (E)2
=
.
Babs
h3 c3
Back to non-equilibrium (first term is spontaneous and second term is stimulated):
Remit
N2 8V (E)2
N2
=
+
.
Rabs
N1 h3 c3 n(E) N1
Note 3.7. In thermal equilibrium, spontaneous dominates stimulate (if E kB T ).
[n(E) is small in equilibrium.]
For stimulated to dominate spontaneous we need
population inversion N2 N1
pump in energy to increase n(E)
49
Philip Hwang
Molecular Physics
50
Philip Hwang
Molecular Physics
Example 3.9
Let x = 2 + x2 , where is small. Calculate x correct to second order in . As a
power series
x = x(0) + x(1) + 2 x(2) +
2
x(1)
[1
2(
+ )].
[x(0) ]2
x(0)
0 : x(0) = 2
1 : x(1) =
[x(0) ]2
1
4
1
2 : x(2) = 16
So
x2+
+ O(3 ).
4 16
When we return we will use this approximation for the Schrodinger equation. . .
3.5.1 Applied to the Schr
odinger equation
Unperturbed system:
0 n = En(0) n .
H
{n } is the complete set of orthogonal eigenfunctions. For a perturbed system we have:
U U + U 0
0 + H
1 )n = E
n n .
(H
Because the unperturbed wavefunctions form a complete set, we can write the perturbed
wavefunctions n in terms of the unperturbed ones. So
X
n = A(){n +
Cnk ()k }
k6=n
(2)
Philip Hwang
Molecular Physics
0 :
0 n = E (0) n
H
n
0
1 n +
En(1) n = H
(0)
(1)
k6=n
1 |n i = 1
= hn |H
1 |n i.
E (1) = hn |H
En(1) hn |n i
2 :
En2 =
X |hk |H
1 |n i|2
(0)
k6=n
(0)
(En Ek )
Note 3.10. .
(0)
(0)
(2)
(x)
=
n
2
L sin( L ). The perturbed
hamiltonian is
(
L
1 = V, 0 < x < 2
H
L
0,
2 < x < L.
Therefore
1 |n i
En(1) = hn |H
Z L r
2
2
nx 2
=
[
sin(
)] V dx
L
L
0
Z L
2
2V
nx
=
sin2 (
)dx
L
L
0
V
=
.(independent of n)
2
For perturbation theory to be valid,
V
2
52
n2 2 ~2
.
2mL2
Philip Hwang
Molecular Physics
1
2
2
0 (x) = p ex /2a ,
a
where a
~
m .
E0 = h0 |x4 |0 i
Z
2
2
x4 ex /a dx
=
a
3
3~2
= a4 =
.
4
4m2 2
So the perturbed energy is approximately
0 ~ [1 + 3~ + ]
E
2
2m2 3
Valid for
2m2 3
3~ .
(4n2 1)
(1)
53
n2 2 ~2
.
2mL2
Philip Hwang
Molecular Physics
We have
En(1) = hn |x3 |n i
= 0,
if the integrand is an odd function of x. For even we have in terms of a Hermite
polynomial
1
En(0) = (n + )~
2
x
1
2
2
ex /2a Hn ( ).
n (x) = p
a
a2n n!
For second order we have
En(2) =
X |hn |H
1 |k i|2
(0)
k6=n
(0)
(En Ek )
Keep k = n 1, n 3 only. So
En(2) 2
11
15a6 2
(n + n + ).
4~
30
54
Philip Hwang
E0 = h100 |ez|100 i = 0,
so we must proceed to the second order
(2)
E0 = e2 2
(n,l,m)6=(1,0,0)
(E0 En )
(0)
(0)
a 3 2
a
4k 0
27 4
1
= ( a30 )( 0 2 ).
2 3
2
ke2
2a0
or
1
2
2 0
2 ke
3 a20 .
eE
eE
F
=
= vd = a =
.
me
me
me
J = nevd =
me
where resistivity = ne
2 is independent of E. This is the local version of Ohms law
V = IR. We can write the average time as
,
hvi
me hvi
ne2
55
Philip Hwang
Classical model
hvi =
=
8kB T
me .
1
2 .
nion rion
0.38 109
= 3.52 1015 s,
=
hvi
1.08 105
2 ~2 3
2/3
2me ( ne )
Problems:
1. No temperature dependence at all.
2. is now 100 times too large.
Take
=
1
.
nion [(rthermal )2 ]
2 . This makes
(rthermal )2 is about 100 times smaller than rion
metal proportional to
T . Note that = thermal jitter + impurities .
Category
Conductor
Conductor
Intrinsic Semiconductor
Intrinsic Semiconductor
Insulator
Insulator
56
Resistivity ( m)
1.6 108
2.2 108
0.46
640
1015
1016
Philip Hwang
Note 4.2. .
1.
Z
(x)dx = f (0).
f (x)(x)dx = f (0)
1
length .
~2 d2
+ V (x)(x) = E(x),
2m dx2
d
dx
d
dx
is discontinuous at x = 0. So
(
d
d
2m
)0+ ( )0 = 2 (0).
dx
dx
~
For x 6= 0 we have
2mE
d2
= 2 (x) K 2 (x)
2
dx
~
r
2mE
(K 2 ).
~
The B.C. are (x) 0 as x . So the solutions are
(
B eKx ,
x<0
(x) =
Kx
B+ e
, x > 0.
57
Philip Hwang
2m
B.
~2
2mE
2m
= 2
2
~
~
m 2
= E = 2 ,
2~
so the energy only has one single bound state. Thus after normalizing
m m2 |x|
.
(x) =
e ~
~
N
1
X
(x ja).
j=0
We will be using periodic B.C. Imagine the x axis as a ring, not a straight line. The
N th spike is at x = a. We want free electrons with E > 0. Solve for the Schrodinger
equation
~2 d2
+ V (x) = E.
2m dx2
n
(2), n = 0, 1, 2, . . . ,
N
and N 1023 .
Note 4.4. .
1. There are N values of between 0 and 2.
58
Philip Hwang
~2 d2
= E, (E > 0)
2m dx2
2mE
d2
2
= k , k
.
2
dx
~
= (0 1)
= 2m
(0).
~2
Relating A and B,
(
B
= ei [A sin(ka) + B cos(ka)]
B.
kA ei k[A cos(ka) B sin(ka)] = 2m
~2
After some algebra:
[ei cos(ka)][1 ei cos(ka)] + ei sin2 (ka) =
2m
sin(ka).
~2 k
And
cos = cos(ka) +
Let
ma
,
~2
m
sin(ka).
~2 k
so
cos = cos(ka) +
sin(ka)
.
ka
2 2
k
The N allowed values between 0 and 2 for gives N allowed energies E = ~2m
. There
are N allowed energy states k between k1 and k2 , between k2 and k3 , etc. This implies
there are bands of closely-spaced energies, separated by gaps.
1
(eEgap /2kB T
59
+ 1)
eEgap /2kB T ,
Philip Hwang
4.5 Superconductivity
Discovered for Hg in 1911. If we plot resistivity with temperature T , superconductors
have no resistivity below critical temperature T = Tc . We dont have to worry about
heating loss when using a superconductor.
Meissner effect occurs when magnetic fields are expelled from superconductors (quantum mechanical basis).
60
Philip Hwang
Nuclear Physics
1 .
Mion
5 Nuclear Physics
Nucleons comprised of protons and neutrons are attracted to each other by the strong
force.
Example 5.1 (Hydrogen isotopes)
Consider 11 H,21 H,31 H. See Appendix ATable of Atomic Masses.
61
Philip Hwang
Nuclear Physics
1u
= 931.5 MeV/c2 .
Mass of proton is mp = 1.007276 u. The mass of neutron is mn = 1.008665 u. The mass
of an electron is me = 5.486 104 u.
Shape of Nucleus
Nearly all nuclei are nearly spherical.
Size of the nucleus
Experiments give empirical relation
r A1/3 r0 ,
where r0 = 1.2 1015 m. So
4
4
V = r3 = Ar03
3
3
4 3
= A ( r0 ),
3
where A is the total number of nucleons. solid 103 kg/m3 . For nucleus we have
nucleus =
A mnucleon
1.6 1027
=
4
4
15 )3
A 3 r03
3 (1.2 10
1017 kg/m3 .
This is YUGE!
1
2
3
2
Philip Hwang
Nuclear Physics
Once completely surrounded, nucleons reach a fixed number of bonds per nucleon.
SA/V 1r .
Energy required to strip a C R atom of all its electrons is around 1000 eV.
Nuclear binding energy:
B.E. = energy required to disassemble the nucleus
= 492.3 MeV
for
56 F e.
28.3 MeV
= 4.7 MeV.
6 bonds
ke2
(1.44 ev nm) 1 MeV
=
( 6
) = +1.4 MeV.
r
106 nm
10 eV
where mH is the hydrogen atomic mass and MA X is the atomic mass of the isotope
Z
in question. This is an approximation because electron binding energies are not included.
63
Philip Hwang
Nuclear Physics
5.3 Quarks
Quarks have 6 different flavors and 3 different colors. Thus there are 18 quarks and 18
anti quarks, making 36 total.
Quark
d
u
s
c
b
t
Electric Charge
13 e
+ 23 e
13 e
+ 23 e
13 e
+ 23 e
Proton: uud
Neutron: udd
64
Spin
1
2
1
2
1
2
1
2
1
2
1
2
Mass (MeV)
338
336
540
1,500
170,900
5,000
Philip Hwang
Nuclear Physics
rgbproton neutron
rrmesons
5.3.1 Color force
r-rrepel
r-battract
r-rattract
r-brepel
5.4 Spin
Nucleon 12
Quarks 21 + Gluons + Orbital ang. momentum of the quarks.
5.4.1 Gluons
There are 8 types.
Carry a color and an anti-color.
s=1
m=0
v = c.
When a quark emits a gluon, it changes color. This happens constantly.
5.4.2 Types of gluons
r
g , rg, b
g , bg, rb, rb, r
r, g
g , bb. Only 2 of the last three count because if this existed,
colorless particles could exchange it and experience the color force directly. Note there
are no quark-anitquark conversions. We must also have conservation of color.
5.4.3 Quark confinement
Different colors attract. Energy added to pull quarks apart is converted into more
string.
5.4.4 Asymptotic freedom
Decrease r < 1018 m (inside nucleon) = F 0.
5.4.5 Model of color-force interaction potential
4 s ~e
+ F0 r, F0 = 900 MeV/fm 16 tons.
3 r
s = .36 is the chromodynamic fine structure constant (strong-coupling constant).
U (r) =
Philip Hwang
Nuclear Physics
~2 k 2
.
2
sin
.
l
.
1 3 5 (2l + 1)
For l
jl ()
1
l
sin( ).
66
Philip Hwang
Nuclear Physics
r<R
r > R.
0
3.14
6.28
9.42
1
4.49
7.73
2
5.76
9.10
3
6.99
10.42
4
8.18
2
~2 kln
2
(kln =
Pln
R ).
5
9.36
The order in which the energy levels occurs is 1s, 1p, 1d, 2s, 1f, 2p, 1g, 2d, 1h , 3s, . . .
5.5.5 Shell model of the nucleus
Each shell contains 2(2l + 1) protons and 2(2l + 1) neutrons.
Shell
1s
1p
1d
2s
# of protons
2
6
10
2
Z
2
8
18
20
The problem is that some of these are not the magic numbers!
5.5.6 Refinements of the model
Finite spherical well with rounded corners.
Spin-orbit interaction causes a splitting between parallel and antiparallel vectors of
the orbital angular momentum and spin of the nucleon. True magic numbers are
Z = 2, 8, 20, 28, 50, 82, 126, . . .
There are Doubly magic nuclei 42 He,1 68 O,2 088 2P b.
5.5.7 Semi-empirical binding energy formula (Inspired by Liquid Drop Model)
The form of the terms is determined by theoretical argument. Coefficients are chosen to
fit experimental data. Define the binding energy to be positive as
Z(Z 1)
(N Z)2
C
,
4
A
A1/3
where A = Z + N and N Z = A 2Z. The first term is a volume term. The second
term is a surface area penalty. The third term is the Coulomb repulsion of the protons.
The last term is for when N 6= Z. The numerical values vary slightly:
C1 A C2 A2/3 C3
C1 = 15.75 MeV
C2 = 17.8 MeV
C3 = .711 MeV
C4 = 23.7 MeV
67
Philip Hwang
26(25)
(30 26)2
23.7
56
(56)1/3
= 496.9 MeV.
Therefore, the binding energy per nucleon is 8.87 MeV which is the formula. Experimental value is 8.79 MeV. This is a less than 1% discrepancy.
C
4
A
A1/3
2
2
2
Eb [Zmp c + (A Z)mn c + Zme c ] Matom c2
Eb (A, Z) = C1 A C2 A2/3 C3
b
E
Z |fixed A .
This gives
CM
C3
2/3
4C4 )A + ( 4C4 )A
C3
)A2/3
2 + ( 2C
4
(1.0084A + .0075A2/3 )
(1 +
(2 + .0150A2/3 )
As an approximation
(
Zopt (A)
1
2 A, small A
2
5 A, 165 < A
< 250.
There is a complication called the pairing effect from experiment. For even A, Zopt (A)
is odd, making N odd as well. If A is odd, it is the most stable.
68
Philip Hwang
W, Pauli introduced neutrinos to solve this problem. Neutrinos have essentially zero
mass and are electrically neutral.
Not electromagnetic interaction
Not gravitational interaction
Not strong interaction
Therefore there must be a 4th kind of fundamental interaction called the weak interaction.
6.3 Radioactivity
Alpha is 42 He nuclei. Beta is electrons. Gamma is high-energy photons.
6.3.1 Beta Decay
Long half-lives are seen.
1. Neutron decay ( decay, lowers
A
Z Xi
N
Z)
0
A
A+1 Xf +1 +
N
Z)
A
Z Xi
0
A
Z1 Xf ++1 +
A
Z Xi
+01 A
Z1 Xf +
N
Z)
69
Philip Hwang
p + p 2p + Energy pn(stable) +
Let the kinetic energy released in beta decay be
Q (mi mf )c2
Take for example (neutron decay/electron emission)
12
5 B
0
12
6 C +1 + nu
So
Q = (12.014352 u 12.000000 u) 931.5 MeV/u
= 13.4 MeV.
Take for example (proton decay/position emisison)
12
7 N
0
12
6 C ++1 +
So
Q = [12.018613 u 12.000000 u 2 5.486 104 u] 931.5 MeV/u
= 16.3 MeV.
Take for example (electron capture)
11
6 C
+01 11
5 B + .
So
Q = [11.01143 u 11.009305 u] 931.5 MeV/u
= 1.98 MeV
Energetically preferred 100 : 1 for
11 C.
6.4 Fusion
Need:
High density (more frequent collisions)
High temperature (high speeds)
Fusion is more efficient because the fusion slope is steeper than the gradual fission slope.
6.4.1 Hydrogen Bomb
Explode a fission bomb. This forces carefully-arranged hydrogen isotopes together.
70
Philip Hwang
TBA
Required T?
Tsun 107 K = plasma state
The problem is that when the plasma touches the wall, it cools off. There are various
confinement methods
Gravitational (Sun, stars)
Magnetic confinement
Inertial confinement
The Advantages of Fusion:
Fuel
Combustion products
Stability
7 TBA
7.1 Overview of Quantum Mechanics
Quantum Mechanics is an abstract mathematical framework that correctly predicts
the results of measurements but defies intuitive pictures.
7.1.1 Two Equivalent Frameworks
Sum over paths (Feynman)
Abstract Vector Spaces (Dirac)
Schr
odinger (waves)
Heisenberg (matrices)
7.1.2 The Postulates of Quantum Mechanics
1. The state of a quantum system is a vector |(t)i in a Hilbert space.
2. Observable quantities are represented by operators. A dynamical quantity A is represented by operator A (Hermitianreal eigenvalues complete set of eigenvectors)
71
Philip Hwang
TBA
and
Prob(An ) = |Cn |2
4. Time evolution of |i is governed by the Schrodinger equation:
i~
|i = H|i
t
Example 7.2 (n = 4)
3 i
2i
Suppose |i =
i
2
|Ci |2
|Ci |2
=
2
2
2
|||i||
|C0 | + |C1 | + + |Cn1 |2
72
1
19
= .052624.
Philip Hwang
TBA
Suppose there was a continuous x-axis. Then we have a continuous function C(x)
(complex wavefunction). p(x) |(x)|2 . Where was the particle before it was measured?
Three schools of thought before 1964:
1. The realist position. The particle was where it was found. Q.M. is an incomplete
theory. There are Hidden variables.
2. The orthodox position. The particle really wasnt anywhere. The act of measurement forced a definite position. Copenhagen interpretation.
3. The agnostic position. Refuse to answer. It is meaningless to ask about the state
of a particle before it was measurement.
John Bell in 1964 presented an argument that
1. Eliminated 3 as a viable option. It makes an observable difference whether the
particle had a precise position prior to measurement.
2. Experiments decisively support 2 over 1.
.
Example 7.3
An example of a qubit would be spin- 12 momentum of an elementary particle on
a fixed axis. Let |0i be up and |1i be down. Suppose the spin state is |i =
(3 4i)|0i + (7 + 2i)|1i. So
|3 4i|2
25
=
78
78
2
|7 + 2i|
53
p(|1i) =
= .
2
78
( 78)
p(|0i) =
73
Philip Hwang
TBA
Alternate basis is
|0i+|1i
2
|0i|1i
.
2
(
|+i =
|i =
Consider
|i = |0i + |1i
= 0 |+i + 0 |i.
Introduce unitary U
0
0
=U
where
U=
h+|0i h+|1i
h|0i h|1i
1
=
2
1 1
1 1
Example 7.4
q
q
Allow |i = 13 |0i + 23 |1i. So
0
0
1
=
2
1 1
1 1
" 1 #
1
1 + 2
3
q
=
2
6 1 2
3
1 0
0 1
0 1
1 0
0 i
i 0
1 0
0 1
0
1
2
3
The above span the vector space of all 2 2 Hermitian matrices. Recall that we saw
these when discussing spin angular momentum. Each of these operators comes with its
own set of eigenvectors.
Important 7.5 (Eigenvalues and eigenvectors)
A x = x,
where A is n n, x is an eigenvector and is the eigenvalue. There are n eigenvalues.
74
Philip Hwang
7
1
1
1
2
1
1
1
2
1
+1
Eigenvectors of 1 , 2 , 3 :
Example 7.6
Spin state |i =
3
2 |0i
2
1
1
2
i
1
1
2
i
TBA
3
1
0
0
1
+ 12 |1i.
3
4
1
4
hy + |0i hy + |1i
hy |0i hy |1i
U=
1
=
2
1 i
1 i
,
so
( 3 i)
( 3 + i)
| i =
|y+i +
|yi.
2 2
2 2
0
1
p(| i ) = cos2 ( )
2
2
1
p(| i ) = sin2 ( ) .
2
2
75
Philip Hwang
TBA
Detectors flash
RG
RG
GR
RG
RG
RR
GG
RR
GG
76
Philip Hwang
7
Instruction Set (Detector 1)
RRR
GGG
RRG
RGR
GRR
RGG
GRG
GGR
TBA
77