Linearized, time-dependent, non-adiabatic quantum correlation functions

被引：5

作者：

Bonella, S ^{[1
]}

Coker, D ^{[1
]}

机构：

[1] Boston Univ, Dept Chem, Boston, MA 02215 USA

来源：

COMPUTER PHYSICS COMMUNICATIONS | 2005年 / 169卷 / 1-3期

关键词：

non-adiabatic dynamics; linearized path integral; mapping Hamiltonian; quantum time correlation functions;

D O I：

10.1016/j.cpc.2005.03.061

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

A new approximate method for the calculation of quantum time correlation functions is derived. The new theory combines the linearized path integral approach and the mapping Hamiltonian formulation so that time correlation functions can be calculated for systems in which non-adiabatic electronic transitions are important. (c) 2005 Elsevier B.V. All rights reserved.

引用

收藏

页码：267 / 273

页数：7

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