| 週次 |
授課內容 |
| 第1週 |
Basic concept of molecular quantum mechanics |
| 第2週 |
Basic concept of molecular quantum mechanics |
| 第3週 |
Approximation: variational principles |
| 第4週 |
Approximation: variational principles |
| 第5週 |
Approximation: time-independent perturbation theory:non-degenerate case |
| 第6週 |
Approximation: time-independent perturbation theory: degenerate case |
| 第7週 |
Introduction to many-electron wavefunctions |
| 第8週 |
Introduction to many-electron wavefunctions |
| 第9週 |
The Hartree-Fock self-consistent-field method |
| 第10週 |
The Hartree-Fock self-consistent-field method |
| 第11週 |
Introduction to basis sets |
| 第12週 |
The electron correlation methods: configuration interaction,many-body perturbation theory, and coupled cluster theory |
| 第13週 |
The electron correlation methods: configuration interaction,many-body perturbation theory, and coupled cluster theory |
| 第14週 |
Density functional theory |
| 第15週 |
Density functional theory |
| 第16週 |
The optimization methods |
| 第17週 |
Consideration of the thermal energy and the nuclear motion |
| 第18週 |
Introduction to molecular dynamics |