APPLICATION OF THE TIME-DEPENDENT HARTREE GRID METHOD TO INELASTIC MOLECULAR-SCATTERING PROBLEMS

被引：28

作者：

COALSON, RD

机构：

[1] Department of Chemistry, University of Pittsburgh, Pittsburgh

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 165卷 / 05期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(90)85457-N

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：

A time-dependent Hartree grid wavepacket propagation method (in which each degree of freedom is represented by a numerical grid, and evolved according to one-dimensional mean field equations) is successfully utilized to calculate S-matrix elements for collinear atom-Morse oscillator scattering. The possibility of developing a convergeable configuration-interaction scheme based upon zeroth-order time-dependent Hartree evolution is briefly discussed. © 1990.

引用

页码：443 / 448

页数：6

共 14 条

[1]

[Anonymous], COMMUNICATION

[2] EXACT TIME-DEPENDENT QUANTUM-MECHANICAL DISSOCIATION DYNAMICS OF I2HE - COMPARISON OF EXACT TIME-DEPENDENT QUANTUM CALCULATION WITH THE QUANTUM TIME-DEPENDENT SELF-CONSISTENT (TDSCF) APPROXIMATION [J].