ELECTRONIC-STRUCTURE OF LINEAR HALOGEN COMPOUNDS .1. DIATOMIC HALIDES, INTERHALOGENS AND HALOGEN HYDRIDES

被引:121
作者
STRAUB, PA
MCLEAN, AD
机构
[1] IBM CORP,RES LAB,SAN JOSE,CA 95193
[2] UNIV BASEL,PHYS CHEM INST,KLINGELBERG STR 80,CH-4056 BASEL,SWITZERLAND
来源
THEORETICA CHIMICA ACTA | 1974年 / 32卷 / 03期
关键词
D O I
10.1007/BF00527478
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:227 / 242
页数:16
相关论文
共 22 条
[1]   EXTENDED HARTREE-FOCK CALCULATIONS FOR GROUND STATE AND HARTREE-FOCK CALCULATIONS FOR FIRST EXCITED STATE OF H2 [J].
BOWMAN, JD ;
HIRSCHFE.JO ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2743-&
[2]   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-&
[3]   WAVE FUNCTIONS FOR SMALL MOLECULES BASED ON LINEAR COMBINATIONS OF ATOMIC ORBITALS [J].
CLARK, RG ;
STEWART, ET .
QUARTERLY REVIEWS, 1970, 24 (01) :95-&
[4]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[6]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[7]   SIMPLE BASIS SET FOR MOLECULAR WAVE-FUNCTIONS CONTAINING 3RD-ROW ATOMS [J].
CLEMENTI, E ;
MATCHA, R ;
VEILLARD, A .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) :1865-&
[8]  
CLEMENTI E, 1967, J CHEM PHYS, V47, P1301
[9]   CNDO/2 AND INDO ALL-VALENCE-ELECTRON CALCULATIONS ON GEOMETRY AND PROPERTIES OF SOME INTERHALOGENS [J].
DEB, BM ;
COULSON, CA .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (08) :958-&
[10]   PHOTOELECTRON SPECTRA OF HALOGENS AND HYDROGEN HALIDES [J].
FROST, DC ;
MCDOWELL, CA ;
VROOM, DA .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (11) :4255-+