THE HELLMANN-FEYNMAN THEOREM FOR APPROXIMATE WAVE-FUNCTIONS AND ITS APPLICATION TO NON-ADIABATIC COUPLING MATRIX-ELEMENTS WITH THE AID OF A COUPLED HARTREE-FOCK METHOD

被引:29
作者
HABITZ, P
VOTAVA, C
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D O I
10.1063/1.438971
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:5532 / 5539
页数:8
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