| Dates |
Topics |
Reading |
Lecture notes |
|
Week 1
8/26, 8/28
|
Particle-wave duality, origin of Schrodinger
equation, particle in a one-dimensional box, uncertainty
principle
|
Levine, Chap. 1, 2
|
Notes 1,
Notes 2,
Problem set 1
|
|
Week 2
9/2, 9/4
|
Operators, Hamilton mechanics, harmonic
oscillator, commutators, simultaneous determination of
two properties
|
Levine, Chap. 3, 4
|
Notes 3,
Notes 4,
Problem set 2
|
|
Week 3
9/9, 9/11
|
Angular momentum, ladder operator method
|
Levine, Chap. 5
|
Notes 5,
Notes 6,
Problem set 3 |
|
Week 4
9/16, 9/18
|
Rigid rotor, hydrogen atom
|
Levine, Chap. 6
|
Notes 7,
Notes 8,
Problem set 4 |
|
Week 5
9/23, 9/25
|
Eigenfunctions, operators, measurement outcomes,
postulates
|
Levine, Chap. 7
|
Notes 9,
Notes 10,
Problem set
5 |
|
Week 6
9/30, 10/2
|
Matrices, determinants, complex vector space,
change
of basis, eigenvalue problem
|
Szabo, Chap. 1
|
Notes
11,
Notes 12,
Problem set
6 |
|
Week 7
10/7, 10/9
|
Function of matrices, function space and vector
space,
mid-term exam
|
Szabo, Chap. 1
|
Notes 13 |
|
Week 8
10/14, 10/16
|
Variation theorem, linear variation method, perturbation theory |
Levine, Chap. 8, 9
|
Notes
14,
Notes 15,
Problem set
7 |
|
Week 9
10/21, 10/23
|
Spin angular momentum, Fermions and Bosons, spin
orbitals, Slater determinant wave function
|
Levine, Chap. 10; Szabo Chap. 2.2
|
Notes
16,
Notes 17
Problem set
8 |
|
Week 10
10/28, 10/30
|
Born-Oppenheimer approximation, Intro to Hartree-Fock and CI theory,
angular momentum for many-electron atoms
|
Szabo Chap. 2.1, 2.2; Levine, Chap. 11
|
Notes
18, Notes 19
Problem set
9 |
|
Week 11
11/4, 11/6
|
One- and two-electron integrals, CI matrix elements
|
Szabo Chap. 2.3
|
Notes
20, Notes
21
Problem set
10 |
|
Week 12
11/11, 11/13
|
Spin-adapted configurations, derivation of HF
equation
|
Szabo, Chap. 2.5, 3.1, 3.2
|
Notes
22, Notes
23
Problem set
11 |
|
Week 13
11/18, 11/20
|
Koopman theorem,
restricted and unrestricted HF, restricted closed-shell
HF: Roothaan equations
|
Szabo, Chap. 3.3, 3.4
|
Notes
24, Notes
25
|
|
Week 14
11/25
|
SCF, dipole moment, population analysis, basis
functions
|
Szabo, Chap. 3.4
|
Notes
26
Problem set
12 |
|
Week 15
12/2, 12/4
|
Bond order, localized MO, Pople-Nesbet equations,
Density functional theory
|
Szabo 3.8
|
Notes
27, Notes
28
Problem set
13 |
|
Week 16
12/9, 12/11
|
Empirical DFT theory, virial
theorem, review
|
Levine, Chap. 14
|
Notes
29
|
Week 17
12/17 |
final exam |
|
|