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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