DYNAMICAL AND NONDYNAMICAL CORRELATION-EFFECTS IN ABINITIO CHEMISORPTION CLUSTER MODEL-CALCULATIONS - GROUND AND LOW-LYING STATES OF H ON CU(100) AND AG(100)

被引：41

作者：

ILLAS, F ^{[1
]}

RUBIO, J ^{[1
]}

RICART, JM ^{[1
]}

机构：

[1] UNIV BARCELONA,FAC QUIM TARRAGONA,DEPT QUIM,E-43005 TARRAGONA,SPAIN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 01期

关键词：

D O I：

10.1063/1.454758

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

页码：260 / 271

页数：12

共 78 条

[31] INEXPENSIVE DETERMINATIONS OF VALENCE VIRTUAL MOS FOR CI CALCULATIONS
ILLAS, F
MERCHAN, M
PELISSIER, M
MALRIEU, JP
[J]. CHEMICAL PHYSICS, 1986, 107 (2-3) : 361 - 380
[32] MOLECULAR-STRUCTURE OF CUOH AND CU(OH)2- - AN ABINITIO STUDY
ILLAS, F
RUBIO, J
CENTELLAS, F
VIRGILI, J
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (22) : 5225 - 5228
[33] MIXED PSEUDO-POTENTIAL APPROACH TO THE ON-TOP CHEMISORPTION OF ATOMIC-HYDROGEN ON THE (100) SILVER SURFACE
ILLAS, F
POUPLANA, R
RUBIO, J
RICART, JM
[J]. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1987, 216 (1-2): : 29 - 40
[34] ABINITIO CLUSTER-MODEL STUDY OF THE ON-TOP CHEMISORPTION OF F AND CL ON SI(111) AND GE(111) SURFACES
ILLAS, F
RUBIO, J
RICART, JM
[J]. PHYSICAL REVIEW B, 1985, 31 (12): : 8068 - 8075
[35] ILLAS F, UNPUB
[36] JEUNG GH, 1983, J CHEM PHYS, V78, P2099
[37] THE EFFECT OF ELECTRONIC CORRELATION ON MOLECULAR WAVE-FUNCTIONS
KARAFILOGLOU, P
MALRIEU, JP
[J]. CHEMICAL PHYSICS, 1986, 104 (03) : 383 - 398
[38] THEORETICAL ASPECTS OF METAL ATOM CLUSTERS
KOUTECKY, J
FANTUCCI, P
[J]. CHEMICAL REVIEWS, 1986, 86 (03) : 539 - 587
[39] DISSOCIATIVE CHEMISORPTION DYNAMICS OF H2 ON NI AND CU SURFACES - MORPHOLOGY AND SURFACE-TEMPERATURE EFFECTS
LEE, CY
DEPRISTO, AE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (07) : 4161 - 4171
[40] IMPROVING THE CONVERGENCE OF THE MANY-BODY PERTURBATION EXPANSION THROUGH A CONVENIENT SUMMATION OF EXCLUSION-PRINCIPLE VIOLATING DIAGRAMS
LEPETIT, MB
MALRIEU, JP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (10) : 5937 - 5948

← 1 2 3 4 5 6 7 8 →