Generalized Sturmian solutions for many-particle Schrodinger equations

被引:12
|
作者
Avery, J [1 ]
Avery, J [1 ]
机构
[1] Univ Copenhagen, Dept Chem, DK-1168 Copenhagen, Denmark
[2] Univ Copenhagen, Dept Comp Sci, DK-1168 Copenhagen, Denmark
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2004年 / 108卷 / 41期
关键词
D O I
10.1021/jp040225m
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 generalized Sturmian method for obtaining solutions to the many-particle Schrodinger equation is reviewed. The method makes use of basis functions that are solutions of an approximate Schrodinger equation with a weighted zeroth-order potential. The weighting factors are especially chosen so that all the basis functions are isoenergetic with the state they are used to represent. This means that all the basis functions have turning points located in such a position that they can contribute usefully to the synthesis of the wave function. The method is illustrated by a simple example-the calculation of atomic spectra.
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页码:8848 / 8851
页数:4
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