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adf:adfmodule [2020/05/24 10:33] – liu.jun | adf:adfmodule [2020/11/12 14:14] (当前版本) – 移除 liu.jun | ||
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- | ====== ADF:专注分子、团簇DFT计算[目录]====== | ||
- | <WRAP group> | ||
- | <WRAP half column> | ||
- | * **[[adf: | ||
- | * [[adf: | ||
- | * [[https:// | ||
- | </ | ||
- | <WRAP half column> | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | |||
- | </ | ||
- | </ | ||
- | ------ | ||
- | ===基态=== | ||
- | <WRAP group> | ||
- | <WRAP half column> | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:IR]] | ||
- | * [[adf: | ||
- | * [[http:// | ||
- | * [[adf: | ||
- | * [[http:// | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:VCD]] | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:CDA]] | ||
- | * [[https:// | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:ssc]] | ||
- | * [[adf:nci]] | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:ELF]] | ||
- | |||
- | |||
- | </ | ||
- | |||
- | <WRAP half column> | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:mbh]] | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | ===垂直跃迁、简单激发、拉曼、ECD、XANES、NEXAFS=== | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:NTO]] | ||
- | * **[[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:xps]] | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[https:// | ||
- | * [[adf:ecd]] | ||
- | * [[adf: | ||
- | * [[https:// | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[https:// | ||
- | * [[https:// | ||
- | ===系间窜跃=== | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | ===激发态结构、过渡态、频率=== | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | ===光发射=== | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | * [[adf:XES]] | ||
- | |||
- | ===建模=== | ||
- | * {{ : | ||
- | * [[adf: | ||
- | * [[adf: | ||
- | ===优化RSH泛函=== | ||
- | * [[adf: | ||
- | </ | ||
- | </ |