DERIVATION OF EXTENDED HUCKEL METHOD WITH CORRECTIONS - ONE ELECTRON MOLECULAR-ORBITAL THEORY FOR ENERGY-LEVEL AND STRUCTURE DETERMINATIONS

被引：433

作者：

ANDERSON, AB ^{[1
]}

机构：

[1] YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 03期

关键词：

D O I：

10.1063/1.430562

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：1187 / 1188

页数：2

共 12 条

[1] VIBRATIONAL FORCE CONSTANTS FROM ELECTRON DENSITIES [J].

ANDERSON, AB ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (08) :3375-&

[2] DESCRIPTION OF DIATOMIC-MOLECULES USING ONE ELECTRON CONFIGURATION ENERGIES WITH 2-BODY INTERACTIONS [J].

ANDERSON, AB ;

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4271-4273

[3] DERIVATION OF AND COMMENTS ON BONACCORSI-SCROCCO-TOMASI POTENTIALS FOR ELECTROPHILIC ADDITIONS [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (06) :2477-2479

[4]

ANDERSON AG, UNPUBLISHED RESULTS

[5] MOLECULAR ORBITAL THEORY FOR OCTAHEDRAL AND TETRAHEDRAL METAL COMPLEXES [J].

BASCH, H ;

VISTE, A ;

GRAY, HB .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :10-+

[6] BASIS OF EXTENDED HUCKEL FORMALISM [J].

BLYHOLDER, G ;

COULSON, CA .

THEORETICA CHIMICA ACTA, 1968, 10 (04) :316-+

[7] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[8] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].

CLEMENTI, E .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&

[9]

HERZBERG G, 1967, MOLECULAR SPECTRA MO, V3

[10] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&

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