CLUSTER CALCULATIONS USING MUFFIN-TIN ORBITALS

被引：21

作者：

GUNNARSSON, O ^{[1
]}

HARRIS, J ^{[1
]}

JONES, RO ^{[1
]}

机构：

[1] KFA JULICH GMBH,INST FESTKORPER FORSCH,D-5170 JULICH,FED REP GER

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1976年 / 9卷 / 14期

关键词：

D O I：

10.1088/0022-3719/9/14/012

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

页码：2739 / 2748

页数：10

共 19 条

[1] ELECTRONIC STATES AS LINEAR COMBINATIONS OF MUFFIN-TIN ORBITALS [J].

ANDERSEN, OK ;

KASOWSKI, RV .

PHYSICAL REVIEW B, 1971, 4 (04) :1064-&

[2] LINEAR METHODS IN BAND THEORY [J].

ANDERSEN, OK .

PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083

[3] MUFFIN-TIN ORBITALS AND MOLECULAR CALCULATIONS - GENERAL FORMALISM [J].

ANDERSEN, OK ;

WOOLLEY, RG .

MOLECULAR PHYSICS, 1973, 26 (04) :905-927

[4] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J].

Baerends, E. J. ;

Ros, P. .

CHEMICAL PHYSICS, 1973, 2 (01) :52-59

[5] CLUSTER MODEL CALCULATIONS FOR ELECTRONIC-ENERGY LEVELS OF OXYGEN CHEMISORBED ON NI [J].

BATRA, IP ;

ROBAUX, O .

SURFACE SCIENCE, 1975, 49 (02) :653-656

[6] CALCULATION OF TOTAL ENERGY IN MULTIPLE SCATTERING-X ALPHA METHOD .2. NUMERICAL TECHNIQUE AND RESULTS [J].

DANESE, JB .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) :3071-3080

[7] OXYGEN CHEMISORPTION OF A SMALL ALUMINUM CLUSTER [J].

HARRIS, J ;

PAINTER, GS .

PHYSICAL REVIEW LETTERS, 1976, 36 (03) :151-154

[8] ELECTRONIC-STRUCTURE OF HCP TRANSITION-METALS [J].

JEPSEN, O ;

ANDERSEN, OK ;

MACKINTOSH, AR .

PHYSICAL REVIEW B, 1975, 12 (08) :3084-3103

[9]

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

[10] CLUSTER CALCULATIONS OF ELECTRONIC-STRUCTURE OF TRANSITION-METAL SURFACES [J].

JONES, RO ;

JENNINGS, PJ ;

PAINTER, GS .

SURFACE SCIENCE, 1975, 53 (DEC) :409-428

← 1 2 →