THE SEMICLASSICAL SOLUTION OF REACTIVE SCATTERING PROBLEMS BY WAVE PACKET PROPAGATION IN HYPERSPHERICAL COORDINATES

被引：20

作者：

MARKOVIC, N

BILLING, GD

机构：

[1] UNIV COPENHAGEN,HC ORSTED INST,DEPT CHEM,DK-2100 COPENHAGEN,DENMARK

[2] GOTHENBURG UNIV,DEPT PHYS CHEM,S-41296 GOTHENBURG,SWEDEN

[3] CHALMERS UNIV TECHNOL,S-41296 GOTHENBURG,SWEDEN

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 195卷 / 01期

关键词：

D O I：

10.1016/0009-2614(92)85910-3

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 propagation of the solution to the time-dependent Schrodinger equation using grid methods has been investigated. The convergence of reaction probabilities with respect to the grid size as well as the efficiency of different propagation schemes (Chebyshev, Lanczos) and kinetic energy evaluation methods (FFT, DVR) has been studied using a semiclassical scattering model.

引用

页码：53 / 61

页数：9

共 20 条

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