LCAO-HCO CALCULATION OF CONDENSED AROMATIC HYDROCARBONS .I. ANTHRACENE

被引：4

作者：

JAGER, J

机构：

[1] Institut für Biophysik, der Deutschen Akademie der Wissenschaften zu Berlin

来源：

PHYSICA STATUS SOLIDI | 1969年 / 35卷 / 02期

关键词：

D O I：

10.1002/pssb.19690350223

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The energy band structure of the π‐electron system of crystalline anthracene was calculated in the LCAO–HCO approximation. The results show a mean band width of the filled bands (in the ground state) of about 0.1 β‐units and an energy gap between the highest filled and lowest unfilled band of about 0.7 β‐units. Copyright © 1969 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim

引用

页码：731 / &

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