APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES .2.

被引：31

作者：

COOK, DB

PALMIERI, P

机构：

[1] Department of Chemistry, The University

[2] Istituto di Chimica Fisica e Spettroscopia, Bologna

来源：

MOLECULAR PHYSICS | 1969年 / 17卷 / 03期

关键词：

D O I：

10.1080/00268976900101021

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 new method of molecular wave-function calculation, which combines the advantages of Slater and gaussian orbitals, is presented. The method is applied to a selection of small molecules displaying σ, π and ‘three-centre’ bonds. © 1969, Taylor & Francis Group, LLC. All rights reserved.

引用

页码：271 / &

共 14 条

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