INTERMOLECULAR SCF METHOD WITHOUT BSSE - THE CLOSED-SHELL CASE

被引:58
作者
MAYER, I [1 ]
VIBOK, A [1 ]
机构
[1] LAJOS KOSSUTH UNIV,INST THEORET PHYS,H-4010 DEBRECEN,HUNGARY
关键词
D O I
10.1016/0009-2614(87)80486-4
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:558 / 564
页数:7
相关论文
共 17 条
[1]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[2]   RADIOFREQUENCY AND MICROWAVE-SPECTRUM OF HYDROGEN-FLUORIDE DIMER - NONRIGID MOLECULE [J].
DYKE, TR ;
HOWARD, BJ ;
KLEMPERER, W .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2442-+
[3]  
HEHRE WJ, 1970, QCPE236
[4]   IMPROVED COUNTERPOISE CORRECTIONS FOR THE ABINITIO CALCULATION OF HYDROGEN-BONDING INTERACTIONS [J].
LOUSHIN, SK ;
LIU, S ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (05) :2720-2725
[5]   SCF THEORY OF INTERMOLECULAR INTERACTIONS WITHOUT BASIS SET SUPERPOSITION ERROR [J].
MAYER, I ;
VIBOK, A .
CHEMICAL PHYSICS LETTERS, 1987, 136 (02) :115-121
[6]   TOWARDS A CHEMICAL HAMILTONIAN [J].
MAYER, I .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (02) :341-363
[7]   SPIN-PROJECTED EHF METHOD .5. COMPARISON OF POTENTIAL CURVES GIVEN BY DIFFERENT ONE-ELECTRON METHODS [J].
MAYER, I .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (01) :29-38
[8]  
MAYER I, IN PRESS MODELLING S
[9]  
MAYER I, IN PRESS THEORET CHI
[10]  
MAYER I, 1980, ADV QUANTUM CHEM, V12, P213