ASYMPTOTICALLY EXACT FORM OF INTERSECTING SPHERES MODEL OF MOLECULES - COMPUTATION OF TOTAL ENERGY AND OF ESCA SPECTRA OF H-2(+), LI-2, N-2, F-2, AND H2O

被引:12
作者
ANTOCI, S
BARINO, L
机构
[1] CNR,GRP NAZL STRUTT MAT,PAVIA,ITALY
[2] IST RICERCHE G DONEGANI,NOVARA,ITALY
关键词
D O I
10.1063/1.432818
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:257 / 260
页数:4
相关论文
共 13 条
[1]   REMOVAL OF DISCONTINUITIES OF TRIAL FUNCTION IN COMPUTATION OF ELECTRONIC-STRUCTURE OF MOLECULES BY INTERSECTING SPHERES MODEL - EVALUATION OF EQUILIBRIUM GEOMETRY OF N-2 AND H-20 [J].
ANTOCI, S ;
MIHICH, L .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1442-1445
[2]   ASYMPTOTICALLY EXACT FORM OF INTERSECTING SPHERES MODEL OF MOLECULES - COMPUTATION OF TOTAL ENERGY AND OF ESCA SPECTRA OF H-2(+), LI-2, N-2, F-2, AND H2O [J].
ANTOCI, S ;
BARINO, L .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :257-260
[3]  
Baber WG, 1935, P CAMB PHILOS SOC, V31, P564
[4]  
Bendict W. S., 1956, J CHEM PHYS, V24, P1139
[5]   MULTIPLE-SCATTERING METHOD BASED ON OVERLAPPING ATOMIC SPHERES WITH APPLICATION TO TCNQ MOLECULE [J].
HERMAN, F ;
WILLIAMS, AR ;
JOHNSON, KH .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) :3508-3522
[6]  
HUBER KP, 1972, AM I PHYSICS HDB
[7]   NEW COMPUTATIONAL APPROACH TO SLATERS SCF-CHI-ALPHA EQUATION [J].
SAMBE, H ;
FELTON, RH .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (03) :1122-1126
[8]   OPTIMIZATION OF STATISTICAL EXCHANGE PARAMETER-ALPHA FOR FREE ATOMS H THROUGH NB [J].
SCHWARZ, K .
PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (07) :2466-&
[9]  
Siegbahn K., 1969, ESCA APPL FREE MOL
[10]   A SIMPLIFICATION OF THE HARTREE-FOCK METHOD [J].
SLATER, JC .
PHYSICAL REVIEW, 1951, 81 (03) :385-390