VALENCE-BOND TREATMENT OF DISTORTIONS IN POLYACENE POLYMERS

被引：23
|
作者：
GARCIABACH, MA [1 ]
PENARANDA, A [1 ]
KLEIN, DJ [1 ]
机构：
[1] TEXAS A&M UNIV SYST,GALVESTON,TX 77553
来源：
PHYSICAL REVIEW B | 1992年 / 45卷 / 19期
关键词：
D O I：
10.1103/PhysRevB.45.10891
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Distortions of polyacene polymers are studied within a many-body valence-bond framework using a powerful transfer-matrix technique for the valence-bond (or Heisenberg) model of the system. The computations suggest that the ground-stat geometry is either totally symmetric or possibly exhibits a slight (A2 or B2 symmetry bond-alternation distortion. The lowest-energy (nonsymmetric, in-plane) distortions are the A2 and B2 modes, which, within our approximations, are degenerate.
引用
收藏
页码：10891 / 10901
页数：11
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