Fully localized bond orbitals and the correlation problem

被引：63

作者：

Diner, S. ^{[1
]}

Malrieu, J. P. ^{[1
]}

Claverie, P. ^{[1
]}

Jordan, F. ^{[1
]}

机构：

[1] CNRS, Lab Biochim Theor Assoc, Inst Biol Phys Chim, Paris, France

来源：

CHEMICAL PHYSICS LETTERS | 1968年 / 2卷 / 05期

关键词：

D O I：

10.1016/0009-2614(68)80085-5

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：

Perturbation theory in conjunction with the use of fully localized bond orbitals provides a precise and fast method for calculating electronic energy of molecules. This is illustrated in the framework of semi-empirical theories and the physical interpretations allowed by the method are shown.

引用

页码：319 / 323

页数：5

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