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.

引用

页码：527 / 536

页数：10

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