BONDING TRENDS IN THE GROUP-IVA DIMERS C2-PB2

被引：37

作者：

HARRIS, J ^{[1
]}

JONES, RO ^{[1
]}

机构：

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

来源：

PHYSICAL REVIEW A | 1979年 / 19卷 / 05期

关键词：

D O I：

10.1103/PhysRevA.19.1813

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Energy curves have been calculated for low-lying states on Sn2 and Pb2 by means of the density-functional formalism. Remarkably similar results can be obtained by representing the core by a simple local pseudopotential. With these and our earlier results for C2-Ge2, trends in this series are discussed, with particular reference to the tails of the atomic s- and p-valence functions. An immediate consequence is an understanding of the special nature of the C-C bond. © 1979 The American Physical Society.

引用

页码：1813 / 1818

页数：6

共 27 条

[1] MASS SPECTROMETRIC STUDY OF GASEOUS MOLECULES ABOVE AGSN, AUSN, AND CUSN ALLOYS [J].

ACKERMAN, M ;

VERHAEGEN, G ;

DROWART, J ;

STAFFORD, FE .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (06) :1557-&

[2] PSEUDOPOTENTIALS SIZES OF ATOMS AND THEIR S-P SPLITTINGS [J].

AUSTIN, BJ ;

HEINE, V .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) :928-&

[3] A'3SIGMAG--X'3IIU BAND SYSTEM OF C2 MOLECULE [J].

BALLIK, EA ;

RAMSAY, DA .

ASTROPHYSICAL JOURNAL, 1963, 137 (01) :61-&

[4] AN EXTENSION OF PHILLIPS SYSTEM OF C2 AND A SURVEY OF C2 STATES [J].

BALLIK, EA ;

RAMSAY, DA .

ASTROPHYSICAL JOURNAL, 1963, 137 (01) :84-&

[5] SPECTROSCOPY AND RELAXATION OF PB2 IN RARE-GAS SOLIDS [J].

BONDYBEY, VE ;

ENGLISH, JH .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (08) :3405-3411

[6]

BOSCHKE FL, SILICON CHEM 1 2, V51

[7]

BOSCHKE FL, 1974, SILICON CHEM 1 2, V50

[8] RELATIVISTIC AND NONRELATIVISTIC HARTREE-FOCK ONE-CENTER EXPANSION CALCULATIONS FOR SERIES CH4 TO PBH4 WITHIN SPHERICAL APPROXIMATION [J].

DESCLAUX, JP ;

PYYKKO, P .

CHEMICAL PHYSICS LETTERS, 1974, 29 (04) :534-539

[9]

GINGERICH KA, 1975, J CHEM PHYS, V62, P731, DOI 10.1063/1.430452

[10] THERMODYNAMIC INVESTIGATION OF LEAD MOLECULES PB2, PB3, AND PB4 BY MASS-SPECTROMETRY [J].

GINGERICH, KA ;

COCKE, DL ;

MILLER, F .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (10) :4027-4033

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