WHAT IS TIME-DEPENDENT DENSITY FUNCTIONAL THEORY? SUCCESSES AND CHALLENGES

机译：什么是与时间有关的密度泛函理论？成功与挑战

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We discuss ongoing projects in ground-state density functional theory (DFT) before introducing some basic concepts in time-dependent DFT (TDDFT). The accuracy of simple approximations to transition frequencies and oscillator strengths is analyzed, developing scattering theory within TDDFT is discussed, and the importance of memory in fully time-dependent calculations is emphasized.

机译：在介绍时变DFT（TDDFT）的一些基本概念之前，我们将讨论基态密度泛函理论（DFT）中正在进行的项目。分析了转换频率和振荡器强度的简单近似值的准确性，讨论了TDDFT内散射理论的发展，并强调了存储器在完全依赖时间的计算中的重要性。

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来源
《Second International Workshop on Electron Correlations and Materials Properties Jun 23-29, 2001 Rhodes, Greece》|2001年|p.285-298|共14页
会议地点 Rhodes(GR)
作者
Neepa T. Maitra; Adam Wasserman; Kieron Burke;
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作者单位

Departments of Chemistry and Physics, Rutgers University, 610 Taylor Road, NJ08904, USA;

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原文格式 PDF
正文语种 eng
中图分类物理学;
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入库时间 2022-08-26 13:47:26

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WHAT IS TIME-DEPENDENT DENSITY FUNCTIONAL THEORY? SUCCESSES AND CHALLENGES

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