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化学进展 2001, Vol. 13 Issue (03): 167- 前一篇   后一篇

• 综述与评论 •

密度泛函理论处理激发态与多重态结构研究进展

戴瑛;黎乐民   

  1. 北京大学化学与分子工程学院
  • 收稿日期:2000-05-01 修回日期:2000-09-01 出版日期:2001-05-24 发布日期:2001-05-24
下载PDF ( 3257 ) 引用
导出 被引次数 ( 47 | 3 )

Applications of Density Functional Theory to Dealing with Excited States and Multiplets of Molecules

Dai Ying;Li Lemin   

  1. State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Beijing 100871, China"
  • Received:2000-05-01 Revised:2000-09-01 Online:2001-05-24 Published:2001-05-24
用密度泛函理论处理分子激发态和电子多重态结构是密度泛函理论发展的重要方面, 研究工作一直很活跃。本文对近年来在这一领域取得的重要进展作简要的综述。
关键词： 密度泛函理论, 激发态, 多重态结构
The application of density functional theory (DFT ) to dealing with the excited states and multiplets of molecules is an important aspect in the development of DFT. The research in this field is continuously very active. The important progress on this subject in recent years is briefly reviewed in this article.
Key words: density functional theory (DFT ), excited states, multiplets

中图分类号: 

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