| 週次 |
授課內容 |
| 第1週 |
Basic concept of molecular quantum mechanics |
| 第2週 |
The force field methods |
| 第3週 |
variational principles |
| 第4週 |
variational principles |
| 第5週 |
time-independent perturbation theory |
| 第6週 |
time-independent perturbation theory |
| 第7週 |
many-electron wavefunctions |
| 第8週 |
many-electron wavefunctions |
| 第9週 |
Hartree-Fock self-consistent-field method |
| 第10週 |
Hartree-Fock self-consistent-field method |
| 第11週 |
basis function |
| 第12週 |
The electron correlation methods: configuration interaction,many-body perturbation theory, and coupled cluster theory |
| 第13週 |
semi-empirical methods |
| 第14週 |
Density functional theory |
| 第15週 |
Density functional theory |
| 第16週 |
The optimization methods |
| 第17週 |
Introduction to molecular dynamic simulation |
| 第18週 |
final exam |