ANALYTIC 2ND DERIVATIVES IN RESTRICTED HARTREE-FOCK THEORY - A METHOD FOR HIGH-SPIN OPEN-SHELL MOLECULAR WAVE-FUNCTIONS

被引:229
作者
SAXE, P [1 ]
YAMAGUCHI, Y [1 ]
SCHAEFER, HF [1 ]
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
关键词
D O I
10.1063/1.443771
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:5647 / 5654
页数:8
相关论文
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