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 12:00] – [成績評価] kimi | 電子物性特論 [2022/08/25 12:02] – [準備学習] kimi | ||
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| 行 26: | 行 26: | ||
| - Carrying out Practical work for electronic band dispersion | - Carrying out Practical work for electronic band dispersion | ||
| - Carrying out Practical work for visualisation of calculation results | - Carrying out Practical work for visualisation of calculation results | ||
| + | ===== 準備学習 ===== | ||
| + | - Students need to summarise the contents of the solid state physics in undergraduate classes. | ||
| + | - Students need to read the part about Hartree-Fock theory in the textbook. | ||
| + | - Students need to read the part about Quantum chemistry method in the textbook. | ||
| + | - Students need to read the part about Density functional theory in the textbook. | ||
| + | - Students need to read the part about Pseudopotentials in the textbook. | ||
| + | - Students need to read the part about Implementations of density functional theory in the textbook. | ||
| + | - Students need to read the part about Further many-electron method in the textbook. | ||
| + | - Students need to read the part about Tight-binding model in the textbook. | ||
| + | - Students need to read documents about Atomic-scale simulation environment on the Web. | ||
| + | - Students need to prepare the code to calculate the total energy of a small molecule. | ||
| + | - Students need to finish the report about total energy calculation and to prepare the code to calculate Hellmann-Feynman forces for a small molecule. | ||
| + | - Students need to finish the report about Hellmann-Feynman force and to be familiar with VESTA code. | ||
| + | - Students need to finish the report about charge density and wave functions and to prepare the code to calculate a small molecule and a simple metal crystal with various K-point sampling. | ||
| + | - Students need to finish the report about density of state and to prepare the code to calculate a simple metal crystal with K-point sampling on some symmetric lines in the first Brillouin zone. | ||
| + | - Students need to finish the report about electronic band dispersion, to prepare the code to optimise the structure of a small molecule and to be familiar with Jmol code. | ||
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電子物性特論.txt · 最終更新: 2022/08/25 12:06 by kimi