Time-dependent multiconfiguration theory for electronic dynamics of molecules in an intense laser field

被引：233

作者：

Kato, T ^{[1
]}

Kono, H ^{[1
]}

机构：

[1] Tohoku Univ, Grad Sch Sci, Dept Chem, Sendai, Miyagi 9808578, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 392卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2004.05.106

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A multiconfiguration theory for electronic dynamics of molecules in an intense laser field is developed based on the Dirac Frenkel time-dependent variational principle. The equations of motion for spin-orbitals and configuration-interaction coefficients are explicitly given. Numerical calculations of electronic dynamics of a hydrogen molecule in an intense electronic field are performed as a practical application of the theory. (C) 2004 Elsevier B.V. All rights reserved.

引用

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页码：533 / 540

页数：8

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