SYMMETRY ADAPTION .3. DIAGONALIZATION OF OVERLAP MATRIX

被引：14

作者：

FIECK, G

机构：

[1] Institut für Chemie, Universität Regensburg, Regensburg, D-8400

来源：

THEORETICA CHIMICA ACTA | 1978年 / 49卷 / 03期

关键词：

Symmetry adapted orbitals;

D O I：

10.1007/BF00550031

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 overlap matrix of symmetric molecules is diagonalized for arbitrary orbitals as far as this is possible by group theoretical methods. The remaining invariant matrix elements are expressed in coordinate and numeration independent way by physical" orbital factors and purely geometric factors arising from group algebra only. © 1978 Springer-Verlag."

引用

页码：199 / 210

页数：12

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