COMPARISON OF THE ELECTRONIC AND GEOMETRIC STRUCTURE OF LI AND NA CLUSTERS - AN ABINITIO QUANTUM CHEMICAL STUDY

被引：0

作者：

BONACICKOUTECKY, V ^{[1
]}

FANTUCCI, P ^{[1
]}

KOUTECKY, J ^{[1
]}

机构：

[1] UNIV MILAN, DIPARTIMENTO CHIM INORGAN & MET ORGAN, I-20133 MILAN, ITALY

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1988年 / 43卷

关键词：

D O I：

暂无

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：221 / 228

页数：8

共 17 条

[1] ABINITIO CI INVESTIGATION OF THE INTERACTION OF A HYDROGEN-ATOM WITH CLUSTERS WHICH MODEL THE (100) AND (110) SURFACES OF BCC LI-LATTICE [J].

BECKMANN, HO ;

KOUTECKY, J .

SURFACE SCIENCE, 1982, 120 (01) :127-149

[2]

BONACICKOUTECKY V, IN PRESS PHYS REV B

[3] SYSTEMATIC ABINITIO CONFIGURATION-INTERACTION STUDY OF ALKALI-METAL CLUSTERS - RELATION BETWEEN ELECTRONIC-STRUCTURE AND GEOMETRY OF SMALL LI CLUSTERS [J].

BOUSTANI, I ;

PEWESTORF, W ;

FANTUCCI, P ;

BONACICKOUTECKY, V ;

KOUTECKY, J .

PHYSICAL REVIEW B, 1987, 35 (18) :9437-9450

[4]

BUEKER RJ, 1985, J MOL STRUCT THEOCHE, V125, P291

[5] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].

BUENKER, RJ ;

PEYERIMH.SD .

THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58

[6] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

BUTSCHER, W .

MOLECULAR PHYSICS, 1978, 35 (03) :771-791

[7] CALCULATED PROPERTIES OF ALKALI-METAL CLUSTERS WITH FIVEFOLD SYMMETRY [J].

FANTUCCI, P ;

KOUTECKY, J ;

PACCHIONI, G .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (01) :325-328

[8]

GIANOLIO L, 1978, GAZZ CHIM ITAL, V108, P181

[9]

GUEST MF, CCP1861 DAR LAB COMP

[10]

Huzinaga S., 1984, GAUSSIAN BASIS SETS

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