Time-dependent quantum methods for large systems

被引：186

作者：

Makri, N ^{[1
]}

机构：

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

来源：

ANNUAL REVIEW OF PHYSICAL CHEMISTRY | 1999年 / 50卷

关键词：

quantum-classical methods; mean field approximation; wavepackets; semiclassical theory; path integral; reduced density matrix; dissipation; influence functionals; system-bath models;

D O I：

10.1146/annurev.physchem.50.1.167

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：

This review focuses on time-dependent methods suitable for simulating the quantum dynamics of processes in large clusters and condensed-phase environments. A number of mean field, quantum-classical, and quantum statistical approximations that avoid the conventional exponential scaling with the number of degrees of freedom are reviewed. In addition, rigorous semiclassical and path integral approaches are described that are feasible in certain physical situations. Select chemical applications illustrating the capabilities of these methods are discussed.

引用

页码：167 / 191

页数：25

共 130 条

[1] VALIDITY OF TIME-DEPENDENT SELF-CONSISTENT-FIELD (TDSCF) APPROXIMATIONS FOR UNIMOLECULAR DYNAMICS - A TEST FOR PHOTODISSOCIATION OF THE XE-HI CLUSTER [J].