THEORETICAL INVESTIGATION INVOLVING ELECTRONIC AND VIBRATIONAL CALCULATIONS OF THE 22A1(3P)-]12B2(3P) AND THE 32A1(4S)-]12B2(3P) TRANSITIONS IN FH2 AND FD2

被引:9
作者
PETSALAKIS, ID
THEODORAKOPOULOS, G
WRIGHT, JS
HAMILTON, IP
机构
[1] CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA
[2] UNIV OTTAWA,DEPT CHEM,OTTAWA K1N 9B4,ONTARIO,CANADA
关键词
D O I
10.1063/1.455358
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:6841 / 6849
页数:9
相关论文
共 38 条
[1]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
[2]   APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
BUTSCHER, W .
MOLECULAR PHYSICS, 1978, 35 (03) :771-791
[3]  
BUENKER RJ, 1982, STUDIES PHYSICAL THE, V21
[4]  
BUENKER RJ, 1985, J MOL STRUC-THEOCHEM, V123, P291
[5]  
CAMYPEYRET C, 1985, MOL SPECTROSCOPY MOD, V3
[6]   IMPROVED POTENTIAL FUNCTIONS FOR BENT AB2 MOLECULES - WATER AND OZONE [J].
CARNEY, GD ;
CURTISS, LA ;
LANGHOFF, SR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (03) :371-381
[7]   THE ELECTRONIC EMISSION-SPECTRUM OF TRIATOMIC HYDROGEN .1. PARALLEL BANDS OF H-3 AND D-3 NEAR 5600-A AND 6025-A [J].
DABROWSKI, I ;
HERZBERG, G .
CANADIAN JOURNAL OF PHYSICS, 1980, 58 (08) :1238-+
[9]  
DUNNING TH, 1977, METHODS ELECTRONIC S
[10]   VIBRATIONAL SPACINGS FOR H-3+ [J].
HAMILTON, I .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) :774-776