GRAPHICAL AND COLOR-PAIRING SYMMETRIES

被引:17
作者
KLEIN, DJ
ZIVKOVIC, TP
机构
[1] Texas A&M University at Galveston, Galveston, Texas
关键词
D O I
10.1002/qua.560370413
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
Symmetries are considered for a class of Hamiltonian models with one (spin‐free) orbital per site. The models include common types of Parisier‐Parr‐Pople and valence‐bond Hamiltonians, defined over a continuous range of parametrizations. The symmetries investigated are linear canonical transformations and include the common point‐group and alternancy symmetries. We find “graphical” symmetries extending the usual point‐group symmetries and novel “color‐pairing” symmetries which involve hybrids of point‐group–like and alternancy symmetries of relevance for certain heteroatomic species. The occurence of recolorpairing transformations relating the eigensolutions of models for different molecules is also noted. Copyright © 1990 John Wiley & Sons, Inc.
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收藏
页码:423 / 436
页数:14
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