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

页码：10891 / 10901

页数：11

共 51 条

[1] PI-ELECTRON VALENCE BOND CALCULATIONS ON BENZENOID HYDROCARBONS VIA GRAPHICAL UNITARY-GROUP METHODS [J].