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
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.
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页码:200 / 205
页数:6
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