CALCULATION OF POLARIZABILITY DERIVATIVES USING ANALYTIC GRADIENT METHODS

被引:275
作者
AMOS, RD
机构
关键词
D O I
10.1016/0009-2614(86)85037-0
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:376 / 381
页数:6
相关论文
共 40 条
[1]   MOLECULAR-PROPERTIES FROM PERTURBATION-THEORY - A UNIFIED TREATMENT OF ENERGY DERIVATIVES [J].
ALMLOF, J ;
TAYLOR, PR .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1985, 27 (06) :743-768
[2]   DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S [J].
AMOS, RD .
CHEMICAL PHYSICS LETTERS, 1984, 108 (02) :185-190
[4]   CORRECTION [J].
AMOS, RD .
CHEMICAL PHYSICS LETTERS, 1985, 122 (1-2) :180-180
[5]  
AMOS RD, UNPUB CHEM PHYS
[6]  
AMOS RD, UNPUB
[7]   ANALYTICAL FORCE-CONSTANTS FOR MCSCF WAVE-FUNCTIONS [J].
CAMP, RN ;
KING, HF ;
MCIVER, JW ;
MULLALLY, D .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) :1088-1089
[8]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+