SOME USEFUL DISCRETE VARIABLE REPRESENTATIONS FOR PROBLEMS IN TIME-DEPENDENT AND TIME-INDEPENDENT QUANTUM-MECHANICS

被引：213

作者：

MUCKERMAN, JT

机构：

[1] Chemistry Department, Brookhaven National Laboratory, Upton

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 173卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(90)80078-R

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 develop a simple, yet powerful approach to constructing discrete variable representations for the solution of quantum mechanical problems by focusing on properties of the underlying basis set. Two examples, one involving fixed-node boundary conditions and the other periodic boundary conditions, are explicitly derived and applied to a problem in spherical polar coordinates with azimuthal symmetry. These two DVRs have equally spaced points and equal weights. © 1990.

引用

页码：200 / 205

页数：6

共 21 条

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Abramowitz M.., 1972, HDB MATH FUNCTIONS

[2]

[Anonymous], 1986, NUMERICAL RECIPES

[3] USE OF THE DISCRETE VARIABLE REPRESENTATION IN THE QUANTUM DYNAMICS BY A WAVE PACKET PROPAGATION - PREDISSOCIATION OF NAL(1-SIGMA-0+)-]NAL(0+)-]NA(S-2)+I(P-2) [J].