A TEST FOR THE WILSON-LEVY CORRELATION-ENERGY FUNCTIONAL

被引：14

作者：

FUENTEALBA, P

SAVIN, A

机构：

[1] UNIV CHILE,FAC CIENCIAS,CMCA,SANTIAGO,CHILE

[2] UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 217卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(93)E1422-D

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 accuracy of the recently developed correlation energy functional of Wilson and Levy is investigated. The correlation contributions to first ionization potentials of first-row atoms, hydrides and dimers, as well as the contributions to the dissociation energies of neutral and ionic hydrides and dimers are calculated and compared with experimental values. It is found that the functional developed by Wilson and Levy represents a positive step in the way to improve the accuracy of density functional models.

引用

页码：566 / 570

页数：5

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