THE HYPERFINE COUPLING-CONSTANTS OF THE X3-SIGMA- STATES OF NH INFLUENCE OF POLARIZATION FUNCTIONS AND CONFIGURATION SPACE ON THE DESCRIPTION OF SPIN POLARIZATION

被引：44
作者：
ENGELS, B
PEYERIMHOFF, SD
机构：
来源：
MOLECULAR PHYSICS | 1989年 / 67卷 / 03期
关键词：
D O I：
10.1080/00268978900101301
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：583 / 600
页数：18
相关论文
共 23 条
[1]   STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].
BENDER, CF ;
DAVIDSON, ER .
PHYSICAL REVIEW, 1969, 183 (01) :23-&
[2]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[3]   CI METHOD FOR STUDY OF GENERAL MOLECULAR POTENTIALS [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1968, 12 (03) :183-&
[4]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&
[5]  
Carrington A., 1969, INTRO MAGNETIC RESON, P566
[6]   GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].
DUNNING, TH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+
[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]   STUDY OF THE 1S AND 2S SHELL CONTRIBUTIONS TO THE ISOTROPIC HYPERFINE COUPLING-CONSTANT IN NITROGEN [J].
ENGELS, B ;
PEYERIMHOFF, SD .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1988, 21 (21) :3459-3471
[9]  
ENGELS B, 1987, THESIS BONN
[10]   A MULTIREFERENCE CL DETERMINATION OF THE ISOTROPIC HYPERFINE CONSTANTS FOR 1ST ROW ATOMS B-F [J].
FELLER, D ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12) :7580-7587
123