The elements of quantum chemistry

Lecture Notes by Garnet Kin-Lic Chan

1. Born-Oppenheimer approximation

2. Slater determinants

3. Hartree-Fock theory

4. Basis formulation of HF theory

5. Electron correlation

6. Configuration Interaction

7. Møller-Plesset perturbation theory

8. Second Quantization

9. Wick's theorem

10. Time-dependent techniques

11. Time-dependent many-body perturbation theory

12. The structure of time-dependent perturbation theory

Coding homework with PySCF powered by Jupyter Notebook

1. Hartree-Fock-01

2. Hartree-Fock-02

3. Hydrogen molecule energy curve

4. He with FCI

5. Extensivity

6. CI program