5.61 | Fall 2017 | Undergraduate

Physical Chemistry


[McQuarrie] = McQuarrie, Donald A. Quantum Chemistry, 2nd Edition. University Science Books, 2007. ISBN: 9781891389504.

[Field] = Field, Robert W. Spectra and Dynamics of Small Molecules. Springer, 2015. ISBN: 9783319159577. 

[CTDL] = Cohen-Tannoudji, Claude, Bernard Diu, and Franck Laloë. Quantum Mechanics. Wiley, 1991. ISBN: 9780471164333

1 Historical Background, Photoelectric Effect [McQuarrie] Chapter 1
2 Wave Nature of the Electron and the Internal Structure of an Atom [McQuarrie] Chapter A
3 Two-Slit Experiment, Quantum Weirdness [McQuarrie] Chapters 1, B
4 Classical Wave Equation and Separation of Variables [McQuarrie] Chapter 2
5 Quantum Mechanics: Free Particle and Particle in 1D box [McQuarrie] Chapter 3.1–3.8
6 3-D Box and QM Separation of Variables [McQuarrie] Chapter 3.9
7 Classical Mechanical Harmonic Oscillator [McQuarrie] Chapter 5.1–5.4
8 Quantum Mechanical Harmonic Oscillator [McQuarrie] Chapter 5.5–5.12
9 The Harmonic Oscillator: Creation and Annihilation Operators

[McQuarrie]  Chapter 5

[McQuarrie]  Appendix

[CTDL] Chapter V.B

10 The Time-Dependent Schrödinger Equation [McQuarrie] Chapter 4.9
11 Wavepacket Dynamics for Harmonic Oscillator and PIB [CTDL] Chapter V.F 
12 Catch Up and Review. Postulates [McQuarrie] Chapter 4
  Exam #1 [McQuarrie] Chapters 1–5, A, B
13 From Hij Integrals to H Matrices I [Field] Chapter 6.1–6.4
14 From Hij Integrals to H Matrices II [McQuarrie] Chapters 4, F, G, H
15 Non-Degenerate Perturbation Theory I No readings
16 Non-Degenerate Perturbation Theory II: HO using a,a [McQuarrie] Chapter 6
17 Rigid Rotor I. Orbital Angular Momentum [McQuarrie] Chapters 6, E
18 Rigid Rotor II. Derivation by Commutation Rules

[McQuarrie] Chapter 6, Appendix


19 Spectroscopy: Probing Molecules with Light

[McQuarrie] Chapter 8.6 

Notes and Video

  Exam #2  
20 Hydrogen Atom I [McQuarrie] Chapter 7.1–7.5
21 Hydrogen Atom II. Rydberg States Notes
22 Helium Atom [McQuarrie] Chapters 7.9, 9.1–9.5, Appendix Chapter 9  
23 Many-Electron Atoms [McQuarrie] Chapter 9.5–9.12
24 Molecular Orbital Theory I. Variational Principle and Matrix Mechanics

[McQuarrie]  Chapters 8.1–8.3, 10.1–10.4


25 Molecular Orbital Theory II. H2+, A2, AB Diatomics [McQuarrie]  Chapter 11.1–11.5
26 Qualitative MO Theory: Hückel [McQuarrie] Chapter 11.6–11.8
27 Non-Degenerate Perturbation Theory III [Field] Chapter 4.1–4.3
28 Modern Electronic Structure Theory: Basis Sets


[McQuarrie] Chapter 12 

29 Modern Electronic Structure Theory: Electronic Correlation


[McQuarrie] Chapter 12 

30 Time-Dependent Perturbation Theory I. H is Time-Independent, Zewail Wavepacket [Field] Chapters 6 and 8 
  Exam #3 [McQuarrie] Chapters 7–11  
31 Time-Dependent Perturbation Theory II. H is Time-Dependent: Two-Level Problem [CTDL] pp. 403–415, 417–419, 424–429, 443–449 
32 Intermolecular Interactions by Non-Degenerate Perturbation Theory [CTDL] pp. 1130–1140 
33 Electronic Spectroscopy: Franck-Condon [Field] Chapters 6.4, 8 
34 Chirped Pulse Microwave: Free Induction Decay, Bloch Visualization


[CTDL] pp. 424–429 

35 δ-Functions, Eigenfunctions of X, Discrete Variable Representation


[CTDL] pp. 1468–1479 

36 Time Dependence of Two-Level Systems: Density Matrix, Rotating Wave Approximation  
  Final Exam  

Course Info

As Taught In
Fall 2017
Learning Resource Types
Lecture Videos
Exams with Solutions
Lecture Notes
Problem Sets with Solutions