一维导电聚合物中的电子关联(Ⅰ) 中性孤子

ELECTRON CORRELATION IN ONE-DIMENSIONAL CONDUCTING POLYMERS (11111111) NEUTRAL SOLITON

本文仔细地研究准一维电子-晶格系统中的电子关联,提出一种“超平均”电子-电子相互作用,通过考虑近邻的电子相互作用on-site,site-site,site-bond,以及on-bond等四项,建立一个相互作用模型哈密顿量,数值计算结果很好地解释反式聚乙炔中的中性孤子的光谱实验和ENDOR实验结果。

In this paper, electron-electron correlation in one-dimensional conducting polyers is studied in detail. A new idea, i.e., that of 'over-average interaction amoug eltctrons', is introduced. By considering the nearest-neighbor interactions, and on-sitt, site-site, site-bond, and on-bond terms a model Hamilitonian is proposed. The calculated numerical results are in good agreement with that of the optical absorption experiments and the ENDOR experiments on the neutral soliton in t r a n s - (CH)x.