Semiclassical influence functionals for quantum systems in anharmonic environments

被引：191

作者：

Makri, N ^{[1
]}

Thompson, K ^{[1
]}

机构：

[1] Univ Illinois, Sch Chem Sci, Urbana, IL 61801 USA

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 291卷 / 1-2期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0009-2614(98)00590-9

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 rigorous semiclassical methodology for calculating influence functionals arising from polyatomic anharmonic environments is presented. Integration of each trajectory forward and backward in time reduces the severity of the oscillations in the semiclassical propagator, namely those originating from the dynamics of the isolated environment, and leads to a convenient coherent state initial value representation which is amenable to Monte Carlo sampling. The advantages of this formulation are illustrated through an example employing a harmonic oscillator bath. (C) 1998. Published by Elsevier Science B.V. All rights reserved.

引用

页码：101 / 109

页数：9

共 12 条

[1]

FEYNMAN RP, 1965, QUANTUM MECH PATH IN

[2] CELLULAR-DYNAMICS - A NEW SEMICLASSICAL APPROACH TO TIME-DEPENDENT QUANTUM-MECHANICS [J].