Time-dependent density functional theory for nonadiabatic processes

被引:27
作者
Baer, R [1 ]
Kurzweil, Y
Cederbaum, LS
机构
[1] Hebrew Univ Jerusalem, Dept Phys Chem, IL-91904 Jerusalem, Israel
[2] Hebrew Univ Jerusalem, Lise Meitner Minerva Ctr Quantum Chem, IL-91904 Jerusalem, Israel
[3] Heidelberg Univ, D-69120 Heidelberg, Germany
关键词
D O I
10.1560/N7N9-J2AU-5TB9-5FRL
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Time-dependent density functional theory (TDDFT) is a general and robust method allowing the study of electron dynamics whether induced by nuclear motion or by external fields. We give a brief overview of the theory and some numerical methods together with recent applications stressing the generality and wide applicability of the method. We also discuss recent attempts to extend the present TDDFT by incorporating memory terms into the exchange correlation potentials.
引用
收藏
页码:161 / 170
页数:10
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