STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .21. CORRELATION ENERGY CORRECTIONS AS A FUNCTIONAL OF HARTREE-FOCK DENSITY AND ITS APPLICATION TO HYDRIDES OF SECOND ROW ATOMS

被引：445

作者：

LIE, GC ^{[1
]}

CLEMENTI, E ^{[1
]}

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 04期

关键词：

D O I：

10.1063/1.1681192

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：1275 / 1287

页数：13

共 40 条

[1] ACCURATE AB-INITIO CALCULATION OF BEH MOLECULE .1. X 2SIGMA+ AND A 2PI STATES [J].

BAGUS, PS ;

MOSER, CM ;

GOETHALS, P ;

VERHAEGEN, G .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :1886-1897

[2]

BENDER CF, 1967, J CHEM PHYS, V47, P300

[3]

BRUECKNER KA, 1968, PHYS REV, V165, P18

[4] 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-&

[5] CORRELATION ENERGY IN CH4 MOLECULE [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (02) :487-&

[6] APPROXIMATE RELATIVISTIC CORRECTION FOR 10-18 ELECTRONS IN ATOMS [J].

CLEMENTI, E .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1964, 12 (01) :18-&

[7] DISSOCIATION ENERGY COMPUTATIONS IN DIATOMIC MOLECULES - AN EXAMPLE [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2780-&

[8] CORRELATION ENERGY FOR ATOMIC SYSTEMS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) :2248-&

[9] CORRELATION ENERGY FOR ATOMIC SYSTEMS .2. ISOELECTRONIC SERIES WITH 11 TO 18 ELECTRONS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) :175-&

[10] CORRELATION ENERGY IN ATOMIC SYSTEMS .3. CONFIGURATIONS WITH 3D AND 4S ELECTRONS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (08) :2783-&

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