Time-dependent electron localization function

被引：122

作者：

Burnus, T ^{[1
]}

Marques, MAL ^{[1
]}

Gross, EKU ^{[1
]}

机构：

[1] Free Univ Berlin, Inst Theoret Phys, D-14195 Berlin, Germany

来源：

PHYSICAL REVIEW A | 2005年 / 71卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.71.010501

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We present a generalization of the electron localization function (ELF) that can be used to analyze time-dependent processes. The time-dependent ELF allows the time-resolved observation of the formation, the modulation, and the breaking of chemical bonds, and. can thus provide a visual understanding of complex re. actions involving the dynamics of excited electrons. We illustrate the usefulness of the time-dependent ELF by two examples: the pi-pi* transition induced by a laser field, and the destruction of bonds and formation of lone pairs in a scattering process.

引用

页数：4

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