AB INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .I. BEH2 MOLECULE IN ITS GROUND STATE

被引：71

作者：

AHLRICHS, R

KUTZELNI.W

机构：

来源：

THEORETICA CHIMICA ACTA | 1968年 / 10卷 / 05期

关键词：

D O I：

10.1007/BF00528769

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：377 / &

共 37 条

[1] ON SOLUTION OF QUANTUM MECHANICAL 2-ELECTRON PROBLEM BY DIRECT CALCULATION OF NATURAL ORBITALS .3. REFINED TREATMENT OF HELIUM-ATOM AND HELIUM-LIKE IONS [J].

AHLRICHS, R ;

KUTZELNI.W ;

BINGEL, WA .

THEORETICA CHIMICA ACTA, 1966, 5 (04) :289-&

[2]

AHLRICHS R, IN PRESS

[3] EXTENDED HUCKEL THEORY AND SHAPE OF MOLECULES [J].

ALLEN, LC ;

RUSSELL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1029-&

[4] THE PREPARATION OF THE HYDRIDES OF ZINC, CADMIUM, BERYLLIUM, MAGNESIUM AND LITHIUM BY THE USE OF LITHIUM ALUMINUM HYDRIDE [J].

BARBARAS, GD ;

DILLARD, C ;

FINHOLT, AE ;

WARTIK, T ;

WILZBACH, KE ;

SCHLESINGER, HI .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1951, 73 (10) :4585-4590

[5]

BERTHIER G, PRIVATE COMMUNICATIO

[6]

BOYS SF, 1967, QUANTUM THEORY ATOMS, P253

[7] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].

CADE, PE ;

HUO, WM .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&

[8]

CZIMADIA IG, 1966, THEORET CHIM ACTA BE, V6, P191

[9]

DAS H, 1967, J CHEM PHYSICS, V46, P1568

[10] PSEUDONATURAL ORBITALS AS A BASIS FOR SUPERPOSITION OF CONFIGURATIONS .I. HE2+ [J].

EDMISTON, C ;

KRAUSS, M .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (05) :1833-&

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