THE ELECTRONIC-SPECTRUM OF PN - A CONFIGURATION-INTERACTION STUDY

被引:26
作者
GREIN, F
KAPUR, A
机构
关键词
D O I
10.1016/0022-2852(83)90289-8
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:25 / 34
页数:10
相关论文
共 21 条
[1]   NON-EMPIRICAL CI POTENTIAL CURVES FOR THE GROUND AND EXCITED-STATES OF PH AND ITS POSITIVE-ION [J].
BRUNA, PJ ;
HIRSCH, G ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
MOLECULAR PHYSICS, 1981, 42 (04) :875-898
[2]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
[3]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[4]   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
[5]   CONFIGURATION INTERACTION CALCULATIONS FOR N2 MOLECULE AND ITS 3 LOWEST DISSOCIATION LIMITS [J].
BUTSCHER, W ;
SHIH, SK ;
BUENKER, RJ ;
PEYERIMHOFF, SD .
CHEMICAL PHYSICS LETTERS, 1977, 52 (03) :457-462
[6]   THE 1-SIGMA-I-X1-SIGMA-+ TRANSITION OF THE PN MOLECULE [J].
COQUART, B ;
PRUDHOMME, JC .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1981, 87 (01) :75-84
[7]  
Coquart B., 1980, Journal of Physics B (Atomic and Molecular Physics), V13, P2251, DOI 10.1088/0022-3700/13/11/016
[8]   Spectroscopic detection and structure of the PN molecule. [J].
Curry, J. ;
Herzberg, L. ;
Herzberg, G. .
ZEITSCHRIFT FUR PHYSIK, 1933, 86 (5-6) :348-366
[9]   The energy levels of a rotating vibrator [J].
Dunham, JL .
PHYSICAL REVIEW, 1932, 41 (06) :721-731
[10]   The Wentzel-Brillouin-Kramers method of solving the wave equation [J].
Dunham, JL .
PHYSICAL REVIEW, 1932, 41 (06) :713-720