Nonadiabatic couplings from time-dependent density functional theory: Formulation by the Kohn-Sham derivative matrix within density functional perturbation theory

著录项

• 来源
  《Physical review》 |2013年第3期|035421.1-035421.7|共7页
• 作者

  Chunping Hu; Takayuki Tsukagoshi; Osamu Sugino; Kazuyuki Watanabe;

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• 作者单位

  Department ofPhysics, Tokyo University of-Science, 1-3 Kagurazaka, Shinjuku, Tokyo 162-8601, Japan;

  Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan;

  Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan;

  Department ofPhysics, Tokyo University of-Science, 1-3 Kagurazaka, Shinjuku, Tokyo 162-8601, Japan;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  theories and models of many-electron systems; corrections to electronic structure; potential energy surfaces for excited electronic states;

  机译：多电子系统的理论和模型;电子结构的更正;激发电子态的势能面;