ON THE USE OF GRID METHODS FOR THE SOLUTION OF REACTIVE SCATTERING PROBLEMS IN HYPERSPHERICAL COORDINATES

被引：15

作者：

MARKOVIC, N ^{[1
]}

BILLING, GD ^{[1
]}

MUCKERMAN, JT ^{[1
]}

机构：

[1] BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 172卷 / 06期

关键词：

D O I：

10.1016/0009-2614(90)80148-7

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：

We have applied the fast-Fourier-transform (FFT) method for propagating the solution of the time-dependent Schrödinger equation for a reactive atom-diatom collision in hyperspherical coordinates. In the present paper the dimensionality of the quantum subspace is reduced to two by introducing a semiclassical approximation, but extension to three or four dimensions is straightforward. © 1990.

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收藏

页码：509 / 514

页数：6

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