THE ELECTRONIC-STRUCTURE OF OCTAHEDRAL PLATINUM AND IRIDIUM CLUSTERS (PT6, IR6) - A COMPARISON BETWEEN X-ALPHA-SW AND EHT CALCULATIONS

被引：7

作者：

BARTEL, HG

SCHOLZ, G

NEUMANN, R

SCHMIDT, W

机构：

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1984年 / 123卷 / 02期

关键词：

D O I：

10.1002/pssb.2221230229

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

页码：641 / 648

页数：8

共 33 条

[1] APPROXIMATE ANALYTICAL ORBITAL FUNCTIONS FOR 2ND AND 3RD-ROW TRANSITION METALS [J].

BASCH, H ;

GRAY, HB .

THEORETICA CHIMICA ACTA, 1966, 4 (04) :367-&

[2]

BLEIBER A, COMMUNICATION

[3] THE CHEMISORPTION OF O-2 AND CO ON PT METAL - AN SCF-XALPHA-STUDY [J].

ELISSA, BD ;

HINCHLIFFE, A .

MOLECULAR PHYSICS, 1980, 39 (06) :1463-1470

[4]

Fritsche H.-G., 1982, Wissenschaftliche Zeitschrift der Friedrich-Schiller-Universitaet Jena, Mathematisch-Naturwissenschaftliche Reihe, V31, P919

[5] USE OF XALPHA-SW CALCULATIONS FOR PARAMETRIZING THE CNDO METHOD FOR THE HEAVIER ELEMENTS .2. TESTS FOR THE ELEMENTS ALUMINUM TO SULFUR [J].

HEAD, JD ;

MITCHELL, KAR .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1979, 57 (14) :1826-1838

[6] CALCULATIONS WITH CNDO METHOD ON CLUSTERS OF SILVER ATOMS [J].

HEAD, JD ;

MITCHELL, KAR .

MOLECULAR PHYSICS, 1978, 35 (06) :1681-1695

[7]

Herman F., 1963, ATOMIC STRUCTURE CAL

[8]

Johnson K. H., 1973, ADV QUANTUM CHEM, V7, P143

[9] A MS X-ALPHA-SCF INVESTIGATION OF OXYGEN-CHEMISORPTION ON SILVER [J].

KAI, AT ;

JIANG, F .

CHEMICAL PHYSICS LETTERS, 1981, 84 (02) :348-351

[10] THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE FOR INCLINED CO CHEMISORBED ON PD (210) SURFACE [J].

KATSUKI, S ;

TAKETA, H .

SOLID STATE COMMUNICATIONS, 1981, 39 (06) :711-713

← 1 2 3 4 →