ETUDE PAR LA METHODE DU CHAMP AUTOCOHERENT ( SELF-CONSISTENT ) DE LA MOLECULE BN

被引：11

作者：

MASSE, JL

BARLOCHER, M

机构：

来源：

HELVETICA CHIMICA ACTA | 1964年 / 47卷 / 01期

关键词：

D O I：

10.1002/hlca.19640470141

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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页码：314 / &

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[21] *QUELQUES ASPECTS DE LA THEORIE DES ORBITALES MOLECULAIRES [J].

MULLIKEN, RS .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1949, 46 (9-10) :497-542

[22] CRITERIA FOR CONSTRUCTION OF GOOD SELF-CONSISTENT-FIELD MOLECULAR ORBITAL WAVE FUNCTIONS, AND SIGNIFICANCE OF LCAO-MO POPULATION ANALYSIS [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (12) :3428-&

[23] SELF-CONSISTENT FIELD ATOMIC AND MOLECULAR ORBITALS AND THEIR APPROXIMATIONS AS LINEAR COMBINATIONS OF SLATER-TYPE ORBITALS [J].

MULLIKEN, RS .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :232-244

[24]

PRITCHARD HO, 1954, P ROY SOC A, V226, P137

[25] STUDIES IN MOLECULAR STRUCTURE .1. SCOPE AND SUMMARY OF THE DIATOMIC MOLECULE PROGRAM [J].

RANSIL, BJ .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :239-244

[26] DOUBLE-ZETA SCF MO CALCULATION OF GROUND AND SOME EXCITED STATES OF N2 [J].

RICHARDSON, J .

JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (05) :1829-&

[27] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89

[28]

SCHWARZ HR, 1962, ALGOL60 REP ALG LANG, V5, P82

[29] Atomic shielding constants [J].

Slater, JC .

PHYSICAL REVIEW, 1930, 36 (01) :0057-0064

[30]

THRUSH BA, 1960, P CHEM SOC LONDON, P339

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