Energy spectrum and optical transitions in C_(80) fullerene isomers

Lobanov B.V.; Murzashev A.I.

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Energy spectrum and optical transitions in C_(80) fullerene isomers

机译：C_（80）富勒烯异构体的能谱和光学跃迁

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The energy spectra of all isomers of the C_(80) fullerene have been calculated in terms of the Schubin-Wonsowskii-Hubbard model. On this basis, their optical absorption spectra have also been calculated. The optical absorption spectra calculated for the endohedral Ca@C_(80), Ba@C_(80), and Sr@C_(80) fullerenes with the I_h symmetry agree well with the experimental data. This circumstance allows us to conclude that the optical absorption spectra of other isomers (for which experimental data are unavailable) obtained in this work can be used for their identification.

机译：根据Schubin-Wonsowskii-Hubbard模型计算了C_（80）富勒烯所有异构体的能谱。在此基础上，还计算了它们的光吸收光谱。具有I_h对称性的内膜Ca @ C_（80），Ba @ C_（80）和Sr @ C_（80）富勒烯的光吸收光谱与实验数据吻合良好。这种情况下，我们可以得出结论，这项工作中获得的其他异构体的光吸收光谱（无法获得实验数据）可以用于鉴定它们。

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《Physics of the solid state》 |2013年第4期|共10页
作者
Lobanov B.V.; Murzashev A.I.;
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原文格式 PDF
正文语种 eng
中图分类 53.8;
关键词
Energy; spectrum; optical;

机译：能量;光谱;光学;

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Energy spectrum and optical transitions in C_(80) fullerene isomers

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