RELATIONSHIP BETWEEN ORTHOGONALIZATION AND ORBITAL LOCALIZATION PROCEDURES

被引：4

作者：

LEVY, B

BERTHIER, G

机构：

[1] ECOLE NORM SUPER JEUNES FILLES,CHIM LAB,EQUIPE RECH 470,F-92120 MONTROUGE,FRANCE

[2] INST BIOL PHYSICOCHIM,BIOCHIM THEOR LAB 77,F-75005 PARIS,FRANCE

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1977年 / 12卷 / 03期

关键词：

D O I：

10.1002/qua.560120316

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：579 / 590

页数：12

共 19 条

[1] 98SELF-CONSISTENT PSEUDOPOTENTIALS AND ULTRALOCALIZED FUNCTIONS FOR ENERGY BANDS [J].

ANDERSON, PW .

PHYSICAL REVIEW LETTERS, 1968, 21 (01) :13-&

[2]

BERTHIER G, 1963, TETRAHEDRON S2, V19, P1

[3]

DELRE G, 1959, 29 UPPS TECHN NOT

[4] DEDUCTION OF ZERO DIFFERENTIAL OVERLAP APPROXIMATION FROM AN ORTHOGONAL ATOMIC ORBITAL BASIS [J].

FISCHERH.I .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) :1962-+

[5] TRANSITION DENSITIES OF CONJUGATED MOLECULES AND INTENSITIES OF FORBIDDEN BANDS [J].

FISCHERHJALMARS, I .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 39 (02) :321-+

[6] THE ELECTRONIC STRUCTURE OF TRANS-BUTADIENE CALCULATED BY THE STANDARD EXCITED STATE METHOD [J].

HALL, GG .

TRANSACTIONS OF THE FARADAY SOCIETY, 1954, 50 (08) :773-779

[7] ON DEVELOPMENT OF SEMIEMPIRICAL METHODS IN MO FORMALISM [J].

JUG, K .

THEORETICA CHIMICA ACTA, 1969, 14 (02) :91-&

[8] NOUVEAU PROCEDE DE CALCUL SEMI-THEORIQUE DES INTEGRALES ELECTRONIQUES (SUITE) [J].

JULG, A .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1959, 56 (03) :235-239

[9] TRAITEMENT LCAO AMELIORE DES MOLECULES CONJUGUEES .1. THEORIE GENERALE - APPLICATION AUX HYDROCARBURES [J].

JULG, A .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1960, 57 (01) :19-30

[10]

LEROY G, 1966, B SOC CHIM BELG, V75, P70

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