Chemistry 333 - Fall 2006

Quantum Mechanics & Molecular Structure

Tentative Lecture Schedule

Date

Lecture

Topic/Activity

HW

M 8/28

1

Ch 1 - Failures of classical physics: heat capacity, blackbody radiation

#1 out

W 8/30

2

Ch 1 - Failures of classical physics: photoelectric effect, atomic spectra, electron diffraction

 

F 9/1

3

Ch 2 - Quantum-to-classical transitions
Ch 2 - Traveling & standing waves (notebook)

#1 due (Sa)
#2 out

Labor Day

 

No class

 

W 9/6

4

Ch 2 - Classical wave equation, Euler's formula, Schrodinger wave equations

 

F 9/8

5

Ch 2 - Inner product of complex functions, Hermitian operators, eigenvalues, orthogonality
Ch 3 - Postulate I

#2 due
#3 out

M 9/11

6

Dan - Derivation of classical wave eqn, development of Schrodinger wave eqn

 

W 9/13

7

Alan at San Francisco ACS mtg - No class

 

F 9/15

8

Ch 2 - Orthogonality, completeness
Ch 3 - Postulates II-V

#3 due
#4 out

M 9/18

9

Ch 4 - Free particle, Particle in a 1-D box (begin) | graphs of Psi v. Psi^2

 

W 9/20

10

Ch 4 - Particle in a 1-D box (contd) | notebook I | notebook II

 

F 9/22

11

Ch 4 - Particle in a 1-D box (finish) | notebook
Ch 4 - Correspondence principle | notebook
Ch 4 - Particle in a 2-D box | notebook
Ch 4 - Dealing with a wave function that is not an eigenfunction | notebook

#4 due
#5 out

M 9/25

12

Ch 5 - Particle in a 1-D box with one infinite wall + one finite wall | notebook

 

W 9/27

13

Ch 5 - Particle in a 1-D box with a double-well + step barrier | wave functions

 

F 9/29

14

Ch 5 - Chemical systems that act like boxes

#5 due

M 10/2

15

Ch 6 - Measurements & commuting operators

 

W 10/4

16

Ch 6 - Experiments involving non-commuting operators: Stern-Gerlach, electron diffraction
Ch 6 - Uncertainty in the position and momentum of a "Gaussian" free electron | notebook

#6 out

F 10/6

17

Ch 6 - Comments on "Gaussian" free electron (see W 10/4 notebook!)
Ch 7 - Harmonic oscillator - why is E quantized?

 

M 10/9

18

Ch 7 - Harmonic oscillator - why is E quantized? (finish)
Q&A for Exam #1 (In-class midterm will be tomorrow in conference)

(Tu) Take-home
midterm out

W 10/11

19

Ch 7 - Harmonic oscillator - analysis
Ch 7 - Rigid rotor - classical physics

 

F 10/13

20

Ch 7 - 2-D Rigid rotor (known rotation axis) & 3-D rigid rotor (unknown axis)

(Sat) Take-home
midterm due

Fall Break

 

 

 

M 10/23

21

Ch 7 - 3-D Rigid rotor (finish) | Plots of Spherical Harmonics (notebook)

 

W 10/25

22

Ch 8 - Spectroscopy: Separation of coordinates, spectroscopic transitions

#6 due
#7 out

F 10/27

23

Ch 8 - Vibration selection rules

 

M 10/30

24

Ch 8 - Rotation selection rules

 

W 11/1

25

Ch 9 - Hydrogen atom energies

#7 due
#8 out

F 11/3

26

Ch 9 - Hydrogen atom wave functions

 

M 11/6

27

Q&A for Exam #2 (In-class midterm will be Tue in conference)

#8 due
(Tu) Take-home
midterm out

W 11/8

28

Ch 9 - Hydrogen atom wave functions

 

F 11/10

29

Ch 10 - Polyelectronic atom wave functions: Extreme IPA model, Electron spin, Electron indistinguishability

(Sa, 5 pm) Take-home
midterm due

M 11/13

30

Ch 10 - Polyelectronic atom wave functions: Pauli principle, spin orbitals, Slater determinants

 

W 11/15

31

Ch 10 - Energy of IPA model, Electron energy, IP trend, HF model (handout on variation method)

 

F 11/17

32

Ch 12 - Models for H2+

#9/10 out

M 11/20

33

Ch 12 - Models for H2+ (contd)

 

W 11/22

34

Ch 12 and 13.2 - Models for H2 and HF. Simplified MO calculations A

#9 (partial) due

Thanks-
giving

 

 

 

M 11/27

35

Ch 13.2 - Simplified MO calculations B
(Tuesday conference Ch 14.7 Performing Huckel MO calculations presentation | notebook)

Tuesday
#9 (remainder)/10 due

W 11/29

36

Teaching evaluation

 

F 12/1

37

Ch 14.7 - Using Huckel MO models (handout on Huckel MO) | SHMO

 

M 12/4

38

Perturbation Theory (handout on perturbation MO)

 

W 12/6

39

Dewar's Perturbation Theory (handout on NBMO calculations)

 

 

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Problems? Contact Alan Shusterman alan@reed.edu

(last updated 12/13/06)