| HANDOUT | DATE NEEDED | FORMAT | ||
|---|---|---|---|---|
| 1 | Syllabus | 1 April | ||
| 2 | Problem Set #1 (1-3) | 1 April | ||
| 3 | Questions Regarding the TDSE | 1 April | ||
| 4 | Bra-Ket notation | 1 April | ||
| 5 | Matrices | 1 April | ||
| 6 | Matrix Computation (MATLAB) | 1 April | ||
| 7 | LCAO coefficients use in HW #1,#2 |
1 April | ||
| 8 | LCAO coefficients and molecular properties atomic charge, bond order, free valence |
3rd April | ||
| 9 | Instructions for using PBSci WebSSH to run Chemistry 273 Programs |
3 April | ||
| 10 | Huckel Theory: Text from Lowe | 8 April | ||
| 11 | Examples of Huckel Calculations Done in MATLAB |
8 April | ||
| 12 | Problem Set #2 (4-9) | 15 April | ||
| 13 | More Huckel Coefficients from Lowe for problems #5-#6 |
15 April | ||
| 14 | Instructions for Huckel Calculations standalone huckel program |
15 April | ||
| 15 | Computational Quantum Chemistry: Text from McQuarrie and Simon |
15 April | ||
| 16 | Questions on Computational Quantum Chemistry | 15 April | ||
| 17 | Point Group Flow Chart from Lowe |
17 April | ||
| 18 | Problem Set #3 (10-12) | 22 April | ||
| 19 | Implications of Commutation of Symmetry Operators and Hamiltonian |
24 April | ||
| 20 | Basis Set Tranformations and Quantum Mechanical Matrices |
24 April | ||
| 21 | Instructions for Spartan Calculations |
29 April | ||
| 22 | Problem Set #4 (13-20) | 6 May | ||
| 23 | Illustrations of Application of Great Orthogonality Theorem |
8 May | ||
| 24 | Problem Set #5 (21-25) | 20 May | ||
| 25 | Direct Product Basis DOES FORM Basis for a Representation |
20 May | ||
| 26 | General Proof of Integral Evaluation Theorem | 22 May | ||
| 27 | Projection Operators and SALCS | 27 May | ||
| Naphthalene MOs for Problem 24 | 27 May | |||
| 29 | Degeneracies in Abelian Groups the exception that edifies the rule | 27 May | ||
| 30 | Spectroscopy semiclassical derivation of transition probabilities | 27 May | ||
| 31 | Time Dependent Perturbation Theory as Applied to Transition Probabilities addendum to handout #30 |
27 May | ||
| 32 | Momentum vs Position Transition Moment Integrals [another] addendum to handout #30 | 27 May | ||
| 33 | Born-Oppenheimer Approximation and Spectrocsopic Transitions | 27 May | ||
| 34 | Zero-Frequency Modes of Nuclear Motion | 29 May | ||
| 35 | Problem Set #6 (26-29) FINIS !! | 29 May | 36 | Problem 29 "Heads-Up" | 6 June |