STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .I. MOLECULAR WAVEFUNCTIONS AND THEIR ANALYSIS

被引:95
作者
CLEMENTI, E
机构
关键词
D O I
10.1063/1.1840457
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:3842 / &
相关论文
共 34 条
[1]   CHEMICAL BOND IN MOLECULAR QUANTUM MECHANICS [J].
ALLEN, TL ;
SHULL, H .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (05) :1644-&
[2]   ELECTRON PAIRS IN BERYLLIUM ATOM [J].
ALLEN, TL ;
SHULL, H .
JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (12) :2281-&
[3]  
BOYS F, 1950, P ROY SOC LONDON, VA200, P542
[4]  
BOYS FA, 1960, P ROY SOC LONDON, VA528, P402
[5]   CORRELATION ENERGY IN CH4 MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (02) :487-&
[6]   DISSOCIATION ENERGY COMPUTATIONS IN DIATOMIC MOLECULES - AN EXAMPLE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2780-&
[7]   CORRELATION ENERGY FOR ATOMIC SYSTEMS [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) :2248-&
[9]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[10]   CORRELATION ENERGY IN ATOMIC SYSTEMS .4. DEGENERACY EFFECTS [J].
CLEMENTI, E ;
VEILLARD, A .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (08) :3050-&