THE HYPERFINE COUPLING-CONSTANTS OF THE 5 LOWEST STATES OF CH - AN ABINITIO MRDCI STUDY

被引:17
作者
ENGELS, B [1 ]
PEYERIMHOFF, SD [1 ]
KARNA, SP [1 ]
GREIN, F [1 ]
机构
[1] UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
关键词
D O I
10.1016/0009-2614(88)80113-1
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:397 / 401
页数:5
相关论文
共 19 条
[1]   HYPERFINE STRUCTURE OF 2P 2P LEVELS OF LITHIUM [J].
ARDILL, RWB ;
STEWART, AL .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 92 (576P) :296-&
[2]  
BANICHEVICH A, 1987, THESIS BONN
[3]   STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].
BENDER, CF ;
DAVIDSON, ER .
PHYSICAL REVIEW, 1969, 183 (01) :23-&
[4]   A MEASUREMENT OF THE LAMBDA-TYPE DOUBLING SPECTRUM OF THE CH RADICAL BY MICROWAVE-OPTICAL DOUBLE-RESONANCE - FURTHER CHARACTERIZATION OF THE A2-DELTA STATE [J].
BRAZIER, CR ;
BROWN, JM .
CANADIAN JOURNAL OF PHYSICS, 1984, 62 (12) :1563-1578
[5]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[6]   CI METHOD FOR STUDY OF GENERAL MOLECULAR POTENTIALS [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1968, 12 (03) :183-&
[7]   CALCULATION OF HYPERFINE COUPLING-CONSTANTS - AN ABINITIO MRD CI STUDY FOR NITROGEN TO ANALYZE THE EFFECTS OF BASIS-SETS AND CI PARAMETERS [J].
ENGELS, B ;
PEYERIMHOFF, SD ;
DAVIDSON, ER .
MOLECULAR PHYSICS, 1987, 62 (01) :109-127
[8]  
ENGELS B, 1987, THESIS BONN
[9]  
ENGELS B, IN PRESS
[10]   ABINITIO CONFIGURATION-INTERACTION CALCULATIONS OF THE HYPERFINE-STRUCTURE IN SMALL RADICALS [J].
FELLER, D ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (03) :1006-1017