LCAO-MO STUDY OF LITHIUM CRYSTAL

被引：12

作者：

LASAROV, D

MARKOV, P

机构：

[1] Faculty of Chemistry, University of Sofia, Sofia

来源：

SURFACE SCIENCE | 1969年 / 14卷 / 02期

关键词：

D O I：

10.1016/0039-6028(69)90081-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using MO theory the change in delocalization energy was traced in building up the metal lattice of lithium. A space model containing 48 atoms was found to be a satisfactory model for further considerations of the lithium crystal. A specific residual electron distribution was observed; the atoms situated on the inside of the crystal in respect to those on the crystal surface are positively charged. © 1969.

引用

页码：320 / &

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