CORRECTED EFFECTIVE MEDIUM METHOD .1. ONE-BODY FORMULATION WITH APPLICATIONS TO ATOMIC CHEMISORPTION AND DIATOMIC MOLECULAR POTENTIALS

被引:50
作者
KRESS, JD
DEPRISTO, AE
机构
关键词
D O I
10.1063/1.452834
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:4700 / 4715
页数:16
相关论文
共 50 条
[1]   VIBRATIONAL EXCITATIONS AND STRUCTURE OF H2,D2 AND HD ADSORBED ON NI(100) [J].
ANDERSSON, S .
CHEMICAL PHYSICS LETTERS, 1978, 55 (01) :185-188
[2]  
Arlinghaus F. J., 1980, THEORY CHEMISORPTION
[3]   HARTREE-FOCK WAVEFUNCTIONS OF NOMINAL ACCURACY FOR HE THROUGH RB+ CALCULATED BY EXPANSION METHOD [J].
BAGUS, PS ;
GILBERT, TL ;
ROOTHAAN, CC .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) :5195-&
[4]   INTERACTION OF NITROGEN WITH IRON SURFACES .2. FE(110) [J].
BOZSO, F ;
ERTL, G ;
WEISS, M .
JOURNAL OF CATALYSIS, 1977, 50 (03) :519-529
[5]  
Carsky Petr, 1980, AB INITIO CALCULATIO, P01
[6]   OXYGEN-CHEMISORPTION AND INCORPORATION ON TRANSITION-METAL SURFACES [J].
CHAKRABORTY, B ;
HOLLOWAY, S ;
NORSKOV, JK .
SURFACE SCIENCE, 1985, 152 (APR) :660-683
[7]   ELECTRON-GAS MODEL FOR OPEN SHELL-CLOSED SHELL INTERACTIONS .2. APPLICATION TO ALKALI MONOXIDES [J].
CLUGSTON, MJ ;
GORDON, RG .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (01) :244-247
[8]   EMBEDDED-ATOM METHOD - DERIVATION AND APPLICATION TO IMPURITIES, SURFACES, AND OTHER DEFECTS IN METALS [J].
DAW, MS ;
BASKES, MI .
PHYSICAL REVIEW B, 1984, 29 (12) :6443-6453
[9]   KINETIC-ENERGY FUNCTIONALS VIA PADE APPROXIMATIONS [J].
DEPRISTO, AE ;
KRESS, JD .
PHYSICAL REVIEW A, 1987, 35 (01) :438-441
[10]   RATIONAL-FUNCTION REPRESENTATION FOR ACCURATE EXCHANGE ENERGY FUNCTIONALS [J].
DEPRISTO, AE ;
KRESS, JD .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (03) :1425-1428