ANALYTICAL GRADIENT OF THE LINEAR COMBINATION OF GAUSSIAN-TYPE ORBITALS LOCAL SPIN-DENSITY ENERGY

被引:167
作者
FOURNIER, R
ANDZELM, J
SALAHUB, DR
机构
关键词
D O I
10.1063/1.456354
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 ;
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页码:6371 / 6377
页数:7
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