電子物性特論
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| 両方とも前のリビジョン前のリビジョン次のリビジョン | 前のリビジョン次のリビジョン両方とも次のリビジョン | ||
| 電子物性特論 [2022/08/25 11:58] – kimi | 電子物性特論 [2022/08/25 12:00] – [成績評価] kimi | ||
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| - execute the calculation for a small molecule for example a carbon monoxide, and | - execute the calculation for a small molecule for example a carbon monoxide, and | ||
| - perform the critical reading of the manuscripts concerned about the first principles calculations. | - perform the critical reading of the manuscripts concerned about the first principles calculations. | ||
| + | ===== 成績評価 ===== | ||
| + | Contribution for reading the text (40 percent of the grade) and Practice reports (60 percent of the grade) for objectives of this course. | ||
| + | ===== 授業内容 ===== | ||
| + | - Reading text about Basic concept of the first principles calculation | ||
| + | - Reading text about Hartree-Fock theory | ||
| + | - Reading text about Quantum chemistry method | ||
| + | - Reading text about Density functional theory | ||
| + | - Reading text about Pseudopotentials | ||
| + | - Reading text about Implementations of density functional theory | ||
| + | - Reading text about Further many-electron method | ||
| + | - Reading text about Tight-binding model | ||
| + | - Reading manuscript about and carrying out basic practice on Atomic-scale simulation environment | ||
| + | - Carrying out Practical work for total energy calculation | ||
| + | - Carrying out Practical work for Hellmann-Feynman force | ||
| + | - Carrying out Practical work for charge density and wave functions | ||
| + | - Carrying out Practical work for density of state | ||
| + | - Carrying out Practical work for electronic band dispersion | ||
| + | - Carrying out Practical work for visualisation of calculation results | ||
電子物性特論.txt · 最終更新: 2022/08/25 12:06 by kimi