Lecture Notes

(S) = Supplemental notes.

0 General information (PDF)
1 Matrices are useful in spectroscopic theory (PDF)
1 (S) Spectroscopic notation, good quantum numbers, perturbation theory and secular equations, non-orthonormal basis sets, transformation of matrix elements of any operator into perturbed basis set (PDF)
2 Coupled harmonic oscillators: truncation of an infinite matrix (PDF)
2 (S) Matrix solution of harmonic oscillator problem, derivation of heisenberg equation of motion, matrix elements of any function of X and P (PDF)
3 Building an effective hamiltonian (PDF)
3 (S) Anharmonic oscillator, vibration-rotation interaction, energy levels of a vibrating rotor (PDF)
4 Atoms: 1e- and alkali (PDF)
5 Alkali and many e- atomic spectra (PDF)
6 Many e- atoms (PDF)
7 How to assign an atomic spectrum (PDF)
8 The Born-Oppenheimer approximation (PDF)
8 (S) Excerpts from the spectra and dynamics of diatomic molecules (PDF) ( Field, R. W., and H. Lefebvre-Brion. The Spectra and Dynamics of Diatomic Molecules. Burlington, MA: Elsevier Academic Press, 2004. ISBN: 9780124414556. Courtesy of Elsevier. Used with permission.)
9 The Born-Oppenheimer approach to transitions (PDF)
10 The Born-Oppenheimer approach to transitions II (PDF)
11 Pictures of spectra and notation (PDF)
12 Rotational assignment of diatomic electronic spectra I (PDF)
13 Laser schemes for rotational assignment first lines for Ω', Ω" assignments (PDF)

Definition of angular momenta and | A α MA >

Evaluation of the rotational Hamiltonian

14 (S) Rotation and angular momenta (PDF)
15 2∏ and 2∑ matrices (PDF)
16 Parity and e/f basis for 2∏, 2± (PDF)
17 Hund's cases: 2∏, 2± examples (PDF)
17 (S) Energy level structure of 2∏ and 2∑ states, matrix elements for 2∏ and 2∑ including ∏ ~ ∑ perturbation, parity (PDF)
18 Perturbations (PDF)
18 (S) A model for the perturbations and fine structure of the ∏ states of CO, factorization of perturbation parameters, the electronic perturbation parameters (PDF)
19 Second-order effects (PDF)
19 (S) Second-order effects: centrifugal distortion and Λ-doubling (PDF)
20 Transformations between basis sets: 3-j, 6-j, and Wigner-Eckart theorem (PDF)
21 Construction of potential curves by the Rydberg-Klein-Rees method (RKR) (PDF)
22 Rotation of polyatomic molecules I (PDF)
22 (S) Energy levels of a rigid rotor, energy levels of an asymmetric rotor (PDF)
23 Asymmetric top (PDF)
23 (S) Energy levels of a rigid rotor, energy levels of an asymmetric rotor (PDF)
24 Pure rotation spectra of polyatomic molecules (PDF)
24 (S) Energy levels of a rigid rotor (PDF)
25 Polyatomic vibrations: normal mode calculations (PDF)
26 Polyatomic vibrations II: s-vectors, G-matrix, and Eckart condition (PDF)
27 Polyatomic vibrations III: s-vectors and H2O (PDF)
28 Polyatomic vibrations IV: symmetry (PDF)
29 A sprint through group theory (PDF)
30 What is in a character table and how do we use it? (PDF)
31 Electronic spectra of polyatomic molecules (PDF)
32 The H2CO (A1A2 from X1A1) transition (PDF)
33 Vibronic coupling (PDF)
33 (S) Time-independent Schrodinger equation for a molecular system (PDF)
34 Wavepacket dynamics (PDF)
35 Wavepacket dynamics II  
36 Wavepacket dynamics III (PDF)