SPIN CONTAMINATION IN UNRESTRICTED HARTREE-FOCK CALCULATIONS

被引:16
|
作者
SCHUG, JC
PHILLIPS, DH
机构
[1] VIRGINIA POLYTECH INST & STATE UNIV,DEPT CHEM,BLACKSBURG,VA 24061
[2] NASA,LANGLEY RES CTR,HAMPTON,VA 23365
来源
JOURNAL OF CHEMICAL PHYSICS | 1973年 / 59卷 / 04期
关键词
D O I
10.1063/1.1680241
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
收藏
页码:1616 / 1624
页数:9
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