学术探索
学术期刊
新闻热点
数据分析
智能评审

EXTENDED HARTREE-FOCK WAVEFUNCTIONS - GENERAL THEORY OF OPTIMIZED-VALENCE CONFIGURATIONS AND ITS APPLICATION TO DIATOMIC MOLECULES

被引：67
作者：
DAS, G
WAHL, AC
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1967年 / 47卷 / 08期
关键词：
D O I：
10.1063/1.1712318
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：2934 / &
相关论文
共 11 条
[1]   ORBITAL SELF-CONSISTENT-FIELD THEORY .I. GENERAL THEORY FOR MULTICONFIGURATIONAL WAVE FUNCTIONS [J].
ADAMS, WH .
PHYSICAL REVIEW, 1967, 156 (01) :109-&
[2]  
BERTONCINI PJ, TO BE PUBLISHED
[3]   STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .I. MOLECULAR WAVEFUNCTIONS AND THEIR ANALYSIS [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3842-&
[4]   EXTENDED HARTREE-FOCK GROUND-STATE WAVEFUNCTIONS FOR LITHIUM MOLECULE [J].
DAS, G .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1568-&
[5]   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-&
[6]   NATURAL EXPANSION OF EXACT WAVEFUNCTIONS .2. HYDROGEN-MOLECULE GROUND STATE [J].
DAVIDSON, ER ;
JONES, LL .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (12) :2966-&
[7]  
GILBERT TL, TO BE PUBLISHED
[8]  
HINZE J, UNPUBLISHED
[9]   COMPLETE MULTI-CONFIGURATION SELF-CONSISTENT FIELD THEORY [J].
VEILLARD, A ;
CLEMENTI, E .
THEORETICA CHIMICA ACTA, 1967, 7 (02) :133-&
[10]  
WAHL AC, ANL7271 TECH REPT
12