LOCAL SPIN-DENSITY FUNCTIONAL-ANALYSIS OF EXCHANGE AND CORRELATION-EFFECTS ON SOME 1ST ROW DIATOMIC-MOLECULES

被引：20

作者：

KEMISTER, G

NORDHOLM, S

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 10期

关键词：

D O I：

10.1063/1.449728

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：5163 / 5173

页数：11

共 28 条

[1] BONDING IN THE 1ST-ROW DIATOMIC-MOLECULES WITHIN THE LOCAL SPIN-DENSITY APPROXIMATION
PAINTER, GS
AVERILL, FW
PHYSICAL REVIEW B, 1982, 26 (04): : 1781 - 1790
[2] X-ALPHA LOCAL SPIN-DENSITY CALCULATIONS - 1ST-ROW DIATOMIC-MOLECULES
FLISZAR, S
DESMARAIS, N
COMEAU, M
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1991, 83 : 83 - 109
[3] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12): : 4993 - 4999
[4] ELECTRONIC-STRUCTURE OF SOME HETERONUCLEAR DIATOMIC-MOLECULES IN THE LOCAL SPIN-DENSITY APPROXIMATION
DHAR, S
ZIEGLER, A
KANHERE, DG
CALLAWAY, J
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02): : 868 - 872
[5] DENSITY FUNCTIONAL THEORY AND MOLECULAR BONDING .1. 1ST-ROW DIATOMIC-MOLECULES
GUNNARSSON, O
HARRIS, J
JONES, RO
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (09): : 3970 - 3979
[6] CANONICAL EXCHANGE ENERGY MODULATION PARAMETERS IN MOLECULAR MTX-ALPHA CALCULATIONS - SOME 1ST ROW HOMONUCLEAR DIATOMIC-MOLECULES
KONOWALOW, DD
MCADON, MH
ROSENKRANTZ, ME
MAFFUID, P
FREINHAR, JP
OTTMAN, RJ
BENNETT, R
TIPTON, P
CHEMICAL PHYSICS LETTERS, 1979, 65 (03) : 494 - 499
[7] MOMENTS OF THE ELECTRON-PAIR DISTRIBUTION FUNCTION FOR 1ST ROW DIATOMIC-MOLECULES
AGUADO, M
SARASOLA, C
DOMINGUEZ, L
UGALDE, JM
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1992, 85 : 311 - 318
[8] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM
GUNNARSSON, O
LUNDQVIST, BI
PHYSICAL REVIEW B, 1976, 13 (10) : 4274 - 4298
[9] DENSITY-MATRIX CALCULATIONS FOR MOLECULES AND CLUSTERS .2. 1ST-ROW DIATOMIC-MOLECULES
GOLLISCH, H
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (23) : 4451 - 4467
[10] REDUCED THEORETICAL POTENTIAL CURVES FOR SOME 1ST ROW DIATOMIC MOLECULES
JENC, F
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1964, 29 (12) : 2869 - +

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