MULTICHANNEL QUANTUM WAVE PACKET PROPAGATION IN THE INTERACTION PICTURE - APPLICATION TO GAS SURFACE SCATTERING

被引：23

作者：

ZHANG, JZH

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1991年 / 63卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0010-4655(91)90235-D

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.

引用

收藏

页码：28 / 37

页数：10

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