STRUCTURE OF MOLECULAR EFFECTIVE POTENTIALS IN COMPOUNDS OF HEAVY ELEMENTS, WITH APPLICATION TO I2

被引:30
作者
EWIG, CS [1 ]
OSMAN, R [1 ]
VANWAZER, JR [1 ]
机构
[1] VANDERBILT UNIV,DEPT CHEM,NASHVILLE,TN 37235
关键词
D O I
10.1063/1.434389
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:3557 / 3561
页数:5
相关论文
共 15 条
[1]  
Bardsley J. N., 1974, Case Studies in Atomic Physics, V4, P299
[2]   ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J].
BONIFACIC, V ;
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2779-2786
[3]   ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD [J].
CHANG, TC ;
HABITZ, P ;
PITTEL, B ;
SCHWARZ, WHE .
THEORETICA CHIMICA ACTA, 1974, 34 (04) :263-275
[4]   PSEUDOPOTENTIAL SCF METHOD FOR VALENCE-ONLY MOLECULAR CALCULATIONS [J].
COFFEY, P ;
EWIG, CS ;
VANWAZER, JR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (07) :1656-1662
[5]   PSEUDOPOTENTIAL AND EFFECTIVE-POTENTIAL SCF THEORY AND ITS APPLICATION TO COMPOUNDS OF HEAVY ELEMENTS [J].
EWIG, CS ;
VANWAZER, JR .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (09) :4035-4041
[6]   PSEUDOPOTENTIAL THEORY OF ATOMIC AND MOLECULAR RYDBERG STATES [J].
HAZI, AU ;
RICE, SA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) :3004-&
[7]   AB-INITIO EFFECTIVE POTENTIALS FOR USE IN MOLECULAR CALCULATIONS [J].
KAHN, LR ;
GODDARD, WA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :2685-&
[8]   VALENCE-ELECTRON-ONLY CALCULATIONS OF ELECTRONIC-STRUCTURE [J].
KLEINER, M ;
MCWEENY, R .
CHEMICAL PHYSICS LETTERS, 1973, 19 (04) :476-479
[9]   AB-INITIO EFFECTIVE POTENTIALS FOR USE IN MOLECULAR QUANTUM-MECHANICS [J].
MELIUS, CF ;
GODDARD, WA .
PHYSICAL REVIEW A, 1974, 10 (05) :1528-1540
[10]  
NICOLAS G, COMMUNICATION