REDUCED LOCAL ENERGY AS A CRITERION FOR THE ACCURACY OF HARTREE-FOCK WAVE-FUNCTIONS

被引:26
作者
KING, FW
LEGORE, MA
KELLY, MK
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D O I
10.1063/1.442124
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:809 / 814
页数:6
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