A correlation-energy density functional for multideterminantal wavefunctions

被引：0
|
作者：
Miehlich, B
Stoll, H
Savin, A
机构：
[1] UNIV STUTTGART,INST THEORET CHEM,D-70550 STUTTGART,GERMANY
[2] UNIV PARIS 06,CHIM THEOR LAB,F-75252 PARIS,FRANCE
来源：
MOLECULAR PHYSICS | 1997年 / 91卷 / 03期
关键词：
D O I：
10.1080/002689797171418
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：
A density functional for dynamical correlation, to be used in connection with wavefunctions of the complete-active-space self-consistent field type, is described, and first applications to the series of two- and four-electron atomic ions as well as to the H-2 potential curve are given.
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页码：527 / 536
页数：10
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