ELECTRON CORRELATIONS IN MOLECULES .1. BOND ORBITAL APPROXIMATION

被引：28

作者：

BORRMANN, W ^{[1
]}

OLES, AM ^{[1
]}

PFIRSCH, F ^{[1
]}

FULDE, P ^{[1
]}

BOHM, MC ^{[1
]}

机构：

[1] TH DARMSTADT, INST PHYSIKAL CHEM, D-6100 DARMSTADT, FED REP GER

来源：

CHEMICAL PHYSICS | 1986年 / 106卷 / 01期

关键词：

D O I：

10.1016/0301-0104(86)87035-5

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：11 / 26

页数：16

共 56 条

[1]

[Anonymous], ELECTRONIC STRUCTURE

[2]

BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169

[3] THEORY OF SUPERCONDUCTIVITY [J].

BARDEEN, J ;

COOPER, LN ;

SCHRIEFFER, JR .

PHYSICAL REVIEW, 1957, 108 (05) :1175-1204

[4] ELECTRONIC-STRUCTURE OF ORGANOMETALLIC COMPOUNDS .13. A CNDO-INDO MOLECULAR-ORBITAL FORMALISM FOR THE ELEMENTS H TO BR APPLICATIONS [J].

BOHM, MC ;

GLEITER, R .

THEORETICA CHIMICA ACTA, 1981, 59 (02) :153-179

[5] ELECTRONIC-STRUCTURE OF ORGANOMETALLIC COMPOUNDS .12. A CNDO-INDO MOLECULAR-ORBITAL FORMALISM FOR THE ELEMENTS H TO BR THEORY [J].

BOHM, MC ;

GLEITER, R .

THEORETICA CHIMICA ACTA, 1981, 59 (02) :127-151

[6] DEGENERATE PERTURBATION-THEORY AND ITS APPLICATION TO HUBBARD-MODEL [J].

CHAO, KA ;

SPALEK, J ;

OLES, AM .

PHYSICS LETTERS A, 1977, 64 (02) :163-166

[7] CANONICAL PERTURBATION EXPANSION OF THE HUBBARD-MODEL [J].

CHAO, KA ;

SPALEK, J ;

OLES, AM .

PHYSICAL REVIEW B, 1978, 18 (07) :3453-3464

[8] METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY [J].

DELLEY, B ;

FREEMAN, AJ ;

ELLIS, DE .

PHYSICAL REVIEW LETTERS, 1983, 50 (07) :488-491

[9] RELATIVISTIC ENERGIES OF EXCITED STATES OF ATOMS AND IONS OF SECOND PERIOD [J].

DESCLAUX, JP ;

MOSER, CM ;

VERHAEGEN, G .

JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1971, 4 (03) :296-+

[10] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .I. PERTURBATION CALCULATION OF GROUND STATE ENERGY [J].

DINER, S ;

MALRIEU, JP ;

CLAVERIE, P .

THEORETICA CHIMICA ACTA, 1969, 13 (01) :1-&

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