APPLICATION OF CONFIGURATION-INTERACTION FOR THE STUDY OF RELATIVISTIC EFFECTS IN ATOMS AND MOLECULES

被引:1
作者
BUENKER, RJ [1 ]
CHANDRA, P [1 ]
机构
[1] BANARAS HINDU UNIV,DEPT CHEM,VARANASI 221005,UTTAR PRADESH,INDIA
关键词
D O I
10.1351/pac198860020167
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:167 / 173
页数:7
相关论文
共 28 条
[1]   A VARIATIONAL APPROACH TO RELATIVISTIC EFFECTS IN LCAO CALCULATIONS [J].
ALMLOF, J ;
FAEGRI, K ;
GRELLAND, HH .
CHEMICAL PHYSICS LETTERS, 1985, 114 (01) :53-57
[2]  
ALVAREZCOLLADO JR, IN PRESS
[3]  
BHANUPRAKASH K, IN PRESS
[4]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
[5]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[6]   MATRIX REPRESENTATION OF THE RELATIVISTIC KINETIC-ENERGY OPERATOR - 2-COMPONENT VARIATIONAL PROCEDURE FOR THE TREATMENT OF MANY-ELECTRON ATOMS AND MOLECULES [J].
BUENKER, RJ ;
CHANDRA, P ;
HESS, BA .
CHEMICAL PHYSICS, 1984, 84 (01) :1-9
[7]  
BUENKER RJ, 1980 P WORKSH QUANT
[8]  
BUENKER RJ, 1982, STUDIES PHYSICAL THE, V21, P17
[9]  
BUENKER RJ, 1985, J MOL STRUC-THEOCHEM, V123, P291
[10]   HIGH-RESOLUTION STUDIES OF THE B1-SIGMA+-X3-SIGMA EMISSION SYSTEM OF SES [J].
FINK, EH ;
KRUSE, H ;
RAMSAY, DA ;
WANG, DC .
MOLECULAR PHYSICS, 1987, 60 (02) :277-290