MOLECULAR GEOMETRIES FROM SPIN HAMILTONIAN CALCULATIONS THROUGH SIMULTANEOUS-OPTIMIZATION OF GEOMETRY AND WAVE-FUNCTION

被引：13

作者：

CIOSLOWSKI, J ^{[1
]}

机构：

[1] UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27599

来源：

THEORETICA CHIMICA ACTA | 1989年 / 75卷 / 04期

关键词：

D O I：

10.1007/BF00533193

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：

引用

页码：271 / 278

页数：8

共 16 条

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