ITERATION OF THE SCHRODINGER-EQUATION STARTING FROM HARTREE-FOCK WAVE-FUNCTIONS

被引:6
|
作者
AVERY, J
ANTONSEN, F
机构
[1] Department of Physical Chemistry, University of Copenhagen, Copenhagen, DK-2100
关键词
D O I
10.1002/qua.560420108
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
Methods are discussed for iterating the many-particle Schrodinger equation starting from Hartree-Fock wave functions. It is shown that when the Hartree-Fock wave function is expressed as a linear combination of the appropriate basis functions in hyperspherical coordinates the hyperangular integrals needed for iteration can be evaluated analytically. It is also shown that the first-iterated solutions contain terms corresponding to angular correlation.
引用
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页码:87 / 101
页数:15
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