Many scholars generalized the ssh model to polyaniline , such as ginder , baraniwski etc . but electron - electron interactions were neglected in those theoretical works , especially influence of the long - range coulomb force 許多學(xué)者也將ssh模型推廣到聚苯胺的研究中,如ginder 、 baranowski等,但現(xiàn)有的理論幾乎都沒(méi)有考慮電子相互作用這一強(qiáng)關(guān)聯(lián)因素,尤其是長(zhǎng)程庫(kù)侖力的影響被忽略。
So we figured that the influence of the electron - electron interactions must be considered in our work . added an electron - electron interaction ( up to the fourth neighbor ) term to the baranowski - buttner - voit ( bbv ) model for polyaniline , we carried out a self - consistent - variation calculation for an biexciton in the pernigranlilne - base polymer , in order to confirm the model hamiltonian . the results showed that two peaks ( near l . oev and 1 . 5ev ) appeared in the calculated optical absorption , besides the reproduced electronic structure , bond order wave ( bow ) and ring - torsion angles 發(fā)現(xiàn)引入電子?電子相互作用后,聚苯胺靜態(tài)激子的性質(zhì)受到影響,該聚合物的鍵序波、芳環(huán)扭角和電子中文摘要結(jié)構(gòu)發(fā)生了變化,而且在理論吸收譜的低能端出現(xiàn)了明顯的二特征吸收峰( 1 . 0ev和1 . 5ev附近) ,這一結(jié)果與實(shí)驗(yàn)數(shù)據(jù)很好的吻合,從而這一點(diǎn)表明我們所考慮的因素是合理的。