ANALYTIC EVALUATION OF ENERGY GRADIENTS FOR THE SINGLE, DOUBLE AND LINEARIZED TRIPLE EXCITATION COUPLED-CLUSTER CCSDT-1 WAVEFUNCTION - THEORY AND APPLICATIONS

被引:78
作者
SCUSERIA, GE
SCHAEFER, HF
机构
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D O I
10.1016/0009-2614(88)85042-5
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:23 / 31
页数:9
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