Gaussian weighting in the quasiclassical trajectory method

被引：181

作者：

Bonnet, L ^{[1
]}

Rayez, JC

机构：

[1] Univ Bordeaux 1, UMR 5803, Lab Physicochim Mol, F-33405 Talence, France

[2] CNRS, F-33405 Talence, France

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 397卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2004.08.068

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：

In standard quasiclassical trajectory calculations, each trajectory has the same statistical weight. Alternately, the Gaussian weighting method is an ad hoc procedure which consists in weighting each trajectory by a Gaussian-like coefficient such that the closer the final actions to integer values, the larger the coefficient. The goal of the present note is to justify such a method in the framework of classical S matrix theory. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：106 / 109

页数：4

共 8 条

[1] Dynamics of the S(1D)+H2 insertion reaction:: A combined quantum mechanical and quasiclassical trajectory study [J].