学术探索
学术期刊
新闻热点
数据分析
智能评审

NATURAL SPIN ORBITAL ANALYSIS OF DIATOMIC MOLECULAR WAVE-FUNCTIONS IN TERMS OF GENERALIZED DIATOMIC ORBITALS .1. OUTLINE OF METHOD - RESULTS FOR GROUND-STATE OF H2

被引：4
作者：
HELFRICH, K [1 ]
机构：
[1] UNIV FRANKFURT,INST THEORET CHEM,3D-6000 FRANKFURT,WEST GERMANY
来源：
THEORETICA CHIMICA ACTA | 1973年 / 30卷 / 02期
关键词：
D O I：
10.1007/BF01209764
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：169 / 176
页数：8
相关论文
共 20 条
[1]   SYMMETRY BEHAVIOUR OF FIRST-ORDER DENSITY MATRIX AND ITS NATURAL ORBITALS FOR LINEAR MOLECULES [J].
BINGEL, WA .
THEORETICA CHIMICA ACTA, 1970, 16 (05) :319-&
[2]  
BINGEL WA, 1969, ADV QUANT CHEMISTRY, V5, P201
[3]   CONFIGURATION INTERACTION APPLIED TO THE HYDROGEN MOLECULE [J].
CALLEN, E .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (02) :360-362
[4]  
COOLEY JW, 1963, RC920 IBM THOM J WAT
[5]  
COOLEY JW, 1962, NYO10423 NEW YORK U
[6]  
Coulson CA, 1938, P CAMB PHILOS SOC, V34, P204
[7]   EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&
[8]   The interaction of inert gases [J].
Delbruck, M .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-CONTAINING PAPERS OF A MATHEMATICAL AND PHYSICAL CHARACTER, 1930, 129 (811) :686-698
[9]   GENERALIZED QUANTUM MECHANICAL 2-CENTRE PROBLEMS .3. CALCULATION OF EXACT EXPECTATION VALUES [J].
HELFRICH, K .
THEORETICA CHIMICA ACTA, 1971, 21 (04) :381-&
[10]   GENERALIZED QUANTUM MECHANICAL 2-CENTRE PROBLEMS .1. GENERAL THEORY AND RESULTS FOR SOME 2-CENTRE COULOMB PROBLEMS [J].
HELFRICH, K ;
HARTMANN, H .
THEORETICA CHIMICA ACTA, 1970, 16 (04) :263-&
12