Abstract

The energy spectrum of isomer no. 181 (C₂) of fullerene C₉₆ is calculated within the approximation of static fluctuations taking into account the intrasite Coulomb interaction with parameter U ~ 10 eV, and its optical absorption spectrum is modeled based on the calculated energy spectrum. The obtained optical absorption spectrum is in a good qualitative agreement with the experimental curve. A similar curve obtained within a conventional model with the intrasite Coulomb interaction disregarded differs significantly from the experimental curve.

中文翻译：

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以分子C 96（C 2）为例的富勒烯作为强相关体系的电子结构和光吸收。

摘要

异构体1的能谱。181（c ^ ₂富勒烯C）₉₆是考虑到与参数的站点内库仑相互作用静态波动的近似内计算ü〜10电子伏特，其光吸收谱是基于所计算的能量光谱建模。所得的光吸收光谱与实验曲线在质量上吻合良好。在传统模型中，忽略站点内库仑相互作用而获得的相似曲线与实验曲线有很大不同。