Incorporation of nonadiabatic transition into wave-packet dynamics

被引：2

作者：

Mil'nikov, GV ^{[1
]}

Zou, SY ^{[1
]}

Nakamura, H ^{[1
]}

机构：

[1] Inst Mol Sci, Dept Theoret Studies, Okazaki, Aichi 4448585, Japan

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 14期

关键词：

D O I：

10.1063/1.2074457

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：

Nonadiabatic wave-packet dynamics is factorized into purely adiabatic propagation and instantaneous localized nonadiabatic transition. A general formula is derived for the quantum-mechanical local nonadiabatic operator which is implemented within the framework of the R-matrix method. The operator can be used for incorporating the nonadiabatic transition in semiclassical wave-packet dynamics. (c) 2005 American Institute of Physics.

引用

页数：4

共 35 条

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