5.80 | Fall 2008 | Graduate
Small-Molecule Spectroscopy and Dynamics


5.80 includes supplemental lectures as indicated by the (S) symbol.

0 General information
1 Matrices are useful in spectroscopic theory
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
2 Coupled harmonic oscillators: truncation of an infinite matrix
2 (S) Matrix solution of harmonic oscillator problem, derivation of heisenberg equation of motion, matrix elements of any function of X and P
3 Building an effective hamiltonian
3 (S) Anharmonic oscillator, vibration-rotation interaction, energy levels of a vibrating rotor
4 Atoms: 1e- and alkali
5 Alkali and many e- atomic spectra
6 Many e- atoms
7 How to assign an atomic spectrum
8 The Born-Oppenheimer approximation
8 (S) Excerpts from the spectra and dynamics of diatomic molecules
9 The Born-Oppenheimer approach to transitions
10 The Born-Oppenheimer approach to transitions II
11 Pictures of spectra and notation
12 Rotational assignment of diatomic electronic spectra I
13 Laser schemes for rotational assignment first lines for Ω’, Ω" assignments

Definition of angular momenta and | A α MA >

Evaluation of ĤROT

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




33 Vibronic coupling
33 (S) Time-independent Schrodinger equation for a molecular system
34 Wavepacket dynamics
35 Wavepacket dynamics II
36 Wavepacket dynamics III

Course Info
As Taught In
Fall 2008
Learning Resource Types
assignment_turned_in Problem Sets with Solutions
grading Exams
notes Lecture Notes
theaters Lecture Videos