GENERALIZATION OF SLATERS TRANSITION-STATE CONCEPT

被引：131

作者：

WILLIAMS, AR ^{[1
]}

DEGROOT, RA ^{[1
]}

机构：

[1] CTR EUROPEEN CALCUL ATOM & MOLEC, ORSAY, FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 63卷 / 02期

关键词：

D O I：

10.1063/1.431382

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：628 / 631

页数：4

共 15 条

[1] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules
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[2] LEVEL ORDERING IN FERROCENE - COMPARISON BETWEEN HARTREE-FOCK-SLATER AND HARTREE-FOCK MODELS
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[J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (03) : 391 - 393
[3] TOTAL ENERGY IN MULTIPLE-SCATTERING FORMALISM - APPLICATION TO WATER MOLECULE
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[4] CALCULATION OF IONIZATION ENERGIES OF SULPHUR HEXAFLUORIDE MOLECULE BY MULTIPLE SCATTERING METHOD
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[5] EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS
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[7] SCF calculations of the electronic structures of the sulfate and perchlorate ions by the scattered-wave model
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[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (05) : 541 - 544
[8] LOCALIZED ELECTRONIC EXCITATIONS IN NICKEL-OXIDE
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CONNOLLY, JW
[J]. SOLID STATE COMMUNICATIONS, 1973, 12 (05) : 313 - 316
[9] SCATTERED-WAVE MODEL FOR ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES OF PERMANGANATE ION
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[J]. CHEMICAL PHYSICS LETTERS, 1971, 10 (02) : 219 - +
[10] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
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[J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &

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