APPLICATION OF CYCLIC BOUNDARY-CONDITIONS IN CNDO-2 CALCULATION OF SIO2 CLUSTERS

被引：16

作者：

DEAK, P

KAZSOKI, J

GIBER, J

机构：

[1] Physical Institute, the Technical University, Budapest

来源：

PHYSICS LETTERS A | 1978年 / 66卷 / 05期

关键词：

D O I：

10.1016/0375-9601(78)90071-3

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Preliminary studies on the possibility of eliminating the dangling bonds in a cluster model calculation by connecting the cluster into itself. The calculation was made on a SiO2 cluster, using the CNDO/2 method. © 1978.

引用

页码：395 / 397

页数：3

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