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

收藏

页码：2739 / 2748

页数：10

相关论文

共 19 条

[1] ELECTRONIC STATES AS LINEAR COMBINATIONS OF MUFFIN-TIN ORBITALS
ANDERSEN, OK
KASOWSKI, RV
[J]. PHYSICAL REVIEW B, 1971, 4 (04): : 1064 - &
[2] LINEAR METHODS IN BAND THEORY
ANDERSEN, OK
[J]. PHYSICAL REVIEW B, 1975, 12 (08): : 3060 - 3083
[3] MUFFIN-TIN ORBITALS AND MOLECULAR CALCULATIONS - GENERAL FORMALISM
ANDERSEN, OK
WOOLLEY, RG
[J]. 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
Baerends, E. J.
Ros, P.
[J]. CHEMICAL PHYSICS, 1973, 2 (01) : 52 - 59
[5] CLUSTER MODEL CALCULATIONS FOR ELECTRONIC-ENERGY LEVELS OF OXYGEN CHEMISORBED ON NI
BATRA, IP
ROBAUX, O
[J]. SURFACE SCIENCE, 1975, 49 (02) : 653 - 656
[6] CALCULATION OF TOTAL ENERGY IN MULTIPLE SCATTERING-X ALPHA METHOD .2. NUMERICAL TECHNIQUE AND RESULTS
DANESE, JB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) : 3071 - 3080
[7] OXYGEN CHEMISORPTION OF A SMALL ALUMINUM CLUSTER
HARRIS, J
PAINTER, GS
[J]. PHYSICAL REVIEW LETTERS, 1976, 36 (03) : 151 - 154
[8] ELECTRONIC-STRUCTURE OF HCP TRANSITION-METALS
JEPSEN, O
ANDERSEN, OK
MACKINTOSH, AR
[J]. 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
JONES, RO
JENNINGS, PJ
PAINTER, GS
[J]. SURFACE SCIENCE, 1975, 53 (DEC) : 409 - 428