LOCAL-SPACE APPROXIMATION FOR TREATMENT OF CHEMISORPTION - APPLICATION TO A MODEL TRANSITION-METAL SYSTEM

被引：11

作者：

DEMELO, CP

DOSSANTOS, MC

MATOS, M

KIRTMAN, B

机构：

[1] UNIV FED PERNAMBUCO,DEPT QUIM FUNDAMENTAL,BR-50000 RECIFE,PE,BRAZIL

[2] UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106

[3] PONTIFICIA UNIV CATOLICA RIO DE JANEIRO,DEPT FIS,BR-20000 RIO DE JANEIRO,RJ,BRAZIL

来源：

PHYSICAL REVIEW B | 1987年 / 35卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.35.7847

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：7847 / 7856

页数：10

共 44 条

[1] MODEL FOR HYDROGEN CHEMISORPTION INCLUDING IMAGE CHARGE EFFECTS [J].

ANDA, E ;

URE, JE .

SURFACE SCIENCE, 1979, 83 (02) :572-584

[2] THE CONVERGENCE OF THE CLUSTER MODEL FOR THE STUDY OF CHEMISORPTION - BE36H [J].

BAGUS, PS ;

SCHAEFER, HF ;

BAUSCHLICHER, CW .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (03) :1390-1395

[3] SELF-CONSISTENT STUDY OF SURFACES OF SIMPLE METALS BY THE DENSITY-MATRIX METHOD - (100) AND (110) SURFACES OF NA, K, RB, AND CS [J].

BOHNEN, KP ;

YING, SC .

PHYSICAL REVIEW B, 1980, 22 (04) :1806-1817

[4]

BOHNEN KP, 1982, SURF SCI, V115, pL96, DOI 10.1016/0039-6028(82)90399-5

[5] LOCALIZED STATES IN POLYACETYLENE [J].

BRANDI, HS ;

DEMELO, CP .

SOLID STATE COMMUNICATIONS, 1982, 44 (01) :37-39

[6] ALTERNATING POLARITY AND FRIEDEL OSCILLATIONS [J].

CANUTO, S ;

CALAIS, JL ;

GOSCINSKI, O .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (09) :1409-1422

[7] ELECTRON INTERACTION IN BAND THEORY OF CHEMISORPTION [J].

EDWARDS, DM ;

NEWNS, DM .

PHYSICS LETTERS A, 1967, A 24 (04) :236-&

[8] 1ST-PRINCIPLES TOTAL-ENERGY CALCULATION FOR A SINGLE ADATOM ON A CRYSTAL [J].

FEIBELMAN, PJ .

PHYSICAL REVIEW LETTERS, 1985, 54 (24) :2627-2630

[9] ELECTRONIC-ENERGY LEVELS OF HYDROGEN ADSORBED ON TUNGSTEN [J].

FEUERBACHER, B ;

FITTON, B .

PHYSICAL REVIEW B, 1973, 8 (10) :4890-4892

[10] CHEMISORPTION THEORY IN HARTREE-FOCK APPROXIMATION [J].

GRIMLEY, TB ;

PISANI, C .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1974, 7 (16) :2831-2848

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