Prediction of excitation energies for conjugated polymers using time-dependent density functional theory

著录项

• 来源
  《Physical review》 |2009年第23期|235110.1-235110.5|共5页
• 作者

  Jianmin Tao; Sergei Tretiak; Jian-Xin Zhu;

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• 作者单位

  Theoretical Division and CNLS, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Theoretical Division and CNLS, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA Center for Integrated Nanotechnology, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Theoretical Division and CNLS, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

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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

  density functional theory, local density approximation, gradient and other corrections; exchange, correlation, dielectric and magnetic response functions, plasmons;

  机译：密度泛函理论;局部密度近似;梯度和其他校正;交换;相关;介电和磁响应函数;等离激元;