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中国物理学会期刊

高分子中电子相互作用矩阵元

CSTR: 32037.14.aps.40.102

MATRIX ELEMENTS OF ELECTRON INTERACTION IN POLYMER

CSTR: 32037.14.aps.40.102
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  • 高分子中二聚化的增强或减弱决定于电子相互作用的力程。为了阐明这个事实的物理原因,本文计算了屏蔽库仑势的对角和非对角相互作用矩阵元。定量地证明了,当力程减小时,非对角相互作用愈来愈重要,它与对角相互作用的竞争使二聚化从增强而变为减弱。

     

    In order to explain why the enhancement or reduction of dimerization of polymer is only determined by the range of electron interaction, the diagonal and off-diagoal matrix elements of screened Coulomb interaction are calculated, and it is shown that the off-diagonal matrix elements are getting more and more important when the interaction range decreases. The Competition between the off-diagonal and diagonal interactions causes the transition from enhancement of dimerization to reduction.

     

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