GAUSSIAN AND SLATER ORBITAL STUDY OF FINE-STRUCTURE IN X3SIGMA- AND A3PI STATES OF NH, OH+, PH, AND SH+

被引:20
作者
PALMIERE, P
SINK, ML
机构
[1] UNIV PARIS SUD,CTR EUROPEEN CALCUL ATOM MOLEC,F-19 ORSAY,FRANCE
[2] UNIV BOLOGNA,IST CHIM FIS & SPETTROSCOPIA,I-40126 BOLOGNA,ITALY
关键词
D O I
10.1063/1.433550
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:3641 / 3646
页数:6
相关论文
共 32 条
[1]  
BAGUS PE, P SEMINAR SELECTED T
[2]  
BENDAZZOLI GL, TO BE PUBLISHED
[3]   ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2 [J].
BERNHEIM, RA ;
BERNARD, HW ;
WANG, PS ;
WOOD, LS ;
SKELL, PS .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) :1280-&
[4]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[5]  
DEGROOT MS, 1971, MOL PHYS, V16, P20
[6]   SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5001-+
[8]  
FRAGA S, 1968, MANY ELECTRON SYSTEM
[9]   SPIN-ORBIT COUPLING CONSTANTS FROM GAUSSIAN WAVEFUNCTIONS [J].
HINKLEY, RK ;
WALKER, TEH ;
RICHARDS, WG .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (11) :5975-&
[10]   FINE STRUCTURE OF 3SIGMA- AND 3PI STATES OF NHOH+ PH AND SH+ [J].
HORANI, M ;
ROSTAS, J ;
LEFEBVRE.H .
CANADIAN JOURNAL OF PHYSICS, 1967, 45 (10) :3319-&