Towards an adequate molecular orbital interpretation of the ultraviolet spectrum of the permanganate ion

被引：33

作者：

Brown, R. D. ^{[1
]}

James, B. H. ^{[1
]}

O'Dwyer, M. F. ^{[1
]}

Roby, K. R. ^{[1
]}

机构：

[1] Monash Univ, Dept Chem, Clayton, Vic 3168, Australia

来源：

CHEMICAL PHYSICS LETTERS | 1967年 / 1卷 / 10期

关键词：

D O I：

10.1016/0009-2614(67)85075-9

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 VESCFCICNDO calculation of the excited states of the permanganate anion has been carried out. The necessity of including electron interaction in a way that is rotationally invariant is stressed and the significance of configuration interaction is illustrated.

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收藏

页码：459 / 464

页数：6

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