LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .3. ENERGY UP TO THIRD-ORDER IN ZERO-DIFFERENTIAL OVERLAP APPROXIMATION . APPLICATION TO SIGMA-ELECTRON SYSTEMS

被引：414

作者：

DINER, S

MALRIEU, JP

JORDAN, F

GILBERT, M

机构：

[1] Institut de Biologie Physico-Chimique, Laboratoire de Biochimie Quantique associé au C.N.R.S., Paris 5è, 13, rue P. et M. Curie

来源：

THEORETICA CHIMICA ACTA | 1969年 / 15卷 / 02期

关键词：

D O I：

10.1007/BF00528246

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：

Formulas are given allowing the calculation of electronic molecular energy up to the third-order in a perturbation theory using fully localized bond orbitals with zero differential overlap between them. The method is applied to small molecules using the CNDO approximations of Pople and Segal. © 1969 Springer-Verlag.

引用

页码：100 / &

共 19 条

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