APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .4. ELECTRON CORRELATION IN MOLECULAR ORBITAL CALCULATIONS

被引：17

作者：

BROWN, RD

ROBY, KR

机构：

来源：

THEORETICA CHIMICA ACTA | 1970年 / 16卷 / 04期

关键词：

D O I：

10.1007/BF00529430

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：291 / &

共 27 条

[1] PAIR CORRELATION ENERGIES [J].

ALLEN, LC ;

CLEMENTI, E ;

GLADNEY, HM .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :465-&

[2] APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .1. ANALYSIS OF POSSIBLE INTEGRAL APPROXIMATIONS [J].

BROWN, RD ;

ROBY, KR .

THEORETICA CHIMICA ACTA, 1970, 16 (03) :175-+

[3] APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .2. METHODS OF EVALUATING BASIC PARAMETERS [J].

BROWN, RD ;

ROBY, KR .

THEORETICA CHIMICA ACTA, 1970, 16 (03) :194-+

[4] APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .3. COMPARATIVE CALCULATIONS ON SULPHATE ANION [J].

BROWN, RD ;

ROBY, KR .

THEORETICA CHIMICA ACTA, 1970, 16 (04) :278-+

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

CLEMENTI, E .

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

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

CLEMENTI, E .

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

[7]

CLEMENTI E, 1965, J CHEM PHYSICS, V42, P2785

[8]

HIRSCHFELDER JO, 1954, MOLECULAR THEORY GAS

[9] MOLECULAR BINDING ENERGIES [J].

HOLLISTER, C ;

SINANOGL.O .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (01) :13-&

[10] RESOLUTION DU PROBLEME A DEUX ELECTRONS EN MECANIQUE QUANTIQUE PAR DETERMINATION DIRECTE DES ORBITALES NATURELLES .2. APPLICATION AUX ETATS FONDAMENTAUX DE LHELIUM ET DES IONS ISOELECTRONIQUES [J].

KUTZELNIGG, W .

THEORETICA CHIMICA ACTA, 1963, 1 (04) :343-352

← 1 2 3 →