DISCONTINUOUS APPROXIMATE MOLECULAR ELECTRONIC WAVE-FUNCTIONS

被引:8
作者
STUEBING, EW [1 ]
WEARE, JH [1 ]
PARR, RG [1 ]
机构
[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21204
关键词
D O I
10.1002/qua.560110108
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:81 / 102
页数:22
相关论文
共 50 条
[21]   ORBITAL OPTIMIZATION IN ELECTRONIC WAVE-FUNCTIONS - EQUATIONS FOR QUADRATIC AND CUBIC CONVERGENCE OF GENERAL MULTICONFIGURATION WAVE-FUNCTIONS [J].
YAFFE, LG ;
GODDARD, WA .
PHYSICAL REVIEW A, 1976, 13 (05) :1682-1691
[22]   EXPANSION OF MOLECULAR-ORBITAL WAVE-FUNCTIONS INTO VALENCE BOND WAVE-FUNCTIONS - SIMPLIFIED PROCEDURE [J].
HIBERTY, PC ;
LEFORESTIER, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (07) :2012-2017
[23]   COMPARISON OF APPROXIMATE INDO AND AB-INITIO WAVE-FUNCTIONS [J].
VANCATLEDGE, FA .
JOURNAL OF PHYSICAL CHEMISTRY, 1974, 78 (08) :763-769
[24]   APPROXIMATE CONTINUUM WAVE-FUNCTIONS FOR THE STRONGLY MAGNETIZED HYDROGENIC PROBLEM [J].
MEGA, C ;
HEROLD, H ;
ROSNER, W ;
RUDER, H ;
WUNNER, G .
PHYSICAL REVIEW A, 1984, 30 (03) :1507-1508
[25]   GENERAL CRITERIA FOR ASSESSING THE ACCURACY OF APPROXIMATE WAVE-FUNCTIONS AND THEIR DENSITIES [J].
NUNEZ, MA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, 53 (01) :27-35
[26]   APPROXIMATE SCATTERING WAVE-FUNCTIONS FOR FEW-PARTICLE CONTINUA [J].
BRIGGS, JS .
PHYSICAL REVIEW A, 1990, 41 (01) :539-541
[27]   ZERO POTENTIAL-ENERGY CRITERION FOR APPROXIMATE WAVE-FUNCTIONS [J].
KOGA, T .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (12) :6301-6303
[28]   CITATION CLASSIC - ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE-FUNCTIONS [J].
MULLIKEN, RS .
CURRENT CONTENTS/ENGINEERING TECHNOLOGY & APPLIED SCIENCES, 1985, (33) :18-18
[29]   EXACT DEVELOPMENT OF ATOMIC AND MOLECULAR WAVE-FUNCTIONS [J].
HERTIA, DI ;
IVANOV, A .
REVUE ROUMAINE DE CHIMIE, 1972, 17 (04) :621-&
[30]   CITATION CLASSIC - ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE-FUNCTIONS [J].
MULLIKEN, RS .
CURRENT CONTENTS/PHYSICAL CHEMICAL & EARTH SCIENCES, 1985, (33) :18-18