Quantum corrections to the classical path equations: Multitrajectory and Hermite corrections

被引：60

作者：

Billing, GD

机构：

[1] Department of Chemistry, H. C. Ørsted Institute, University of Copenhagen, 2100 Ø Copenhagen

来源：

JOURNAL OF CHEMICAL PHYSICS | 1997年 / 107卷 / 11期

关键词：

D O I：

10.1063/1.474804

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：

The classical path theory can be derived from first principles by assuming a product type wave function and a Gaussian wave packet in those degrees of freedom for which the classical equations of motion is introduced. Here we give ways of correcting the theory so as to obtain the exact solution with enough correction terms. (C) 1997 American Institute of Physics.

引用

页码：4286 / 4294

页数：9

共 25 条

[1]

Billing G. D., 1997, ADV MOL DYNAMICS CHE

[2] THE IMPROVEMENT OF THE TDSCF METHOD FOR A REACTION COORDINATE COUPLED TO A HEAT BATH [J].