CALCULATION OF MOLECULAR ELECTRONIC POLARIZABILITIES - COMPARISON OF DIFFERENT METHODS

被引：60

作者：

RINALDI, D ^{[1
]}

RIVAIL, JL ^{[1
]}

机构：

[1] UNIV NANCY 1,LAB CHIM THEORIQUE,CNRS,EQUIPE RECH INTERACTIONS MOLEC,F-54037 NANCY,FRANCE

来源：

THEORETICA CHIMICA ACTA | 1974年 / 32卷 / 03期

关键词：

D O I：

10.1007/BF00527479

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：243 / 251

页数：9

共 37 条

[1] HARTREE-FOCK EQUATIONS WITH A PERTURBING FIELD [J].

ALLEN, LC .

PHYSICAL REVIEW, 1960, 118 (01) :167-175

[2] ATOM DIPOLE INTERACTION MODEL FOR MOLECULAR POLARIZABILITY - APPLICATION TO POLYATOMIC-MOLECULES AND DETERMINATION OF ATOM POLARIZABILITIES [J].

APPLEQUIST, J ;

CARL, JR ;

FUNG, KK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) :2952-+

[3]

BARRIOL J, 1953, CR HEBD ACAD SCI, V237, P307

[4]

BARRIOL J, 1961, ELEMENTS MECANIQUE Q

[5] VALENCE SHELL CALCULATIONS ON POLYATOMIC MOLECULES .5. MOLECULAR QUADRUPOLE MOMENTS BY CNDO/2D AND SCC METHODS [J].

BLOOR, JE ;

MAKSIC, ZB .

MOLECULAR PHYSICS, 1971, 22 (02) :351-&

[6] The quantum theory of atomic polarization I - Polarization by a uniform field [J].

Buckingham, RA .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1937, 160 (A900) :0094-0113

[7]

COEN MD, 1965, J CHEM PHYS, V43, pS34

[8] ATOMIC POLARIZABILITIES AND SHIELDING FACTORS [J].

DALGARNO, A .

ADVANCES IN PHYSICS, 1962, 11 (44) :281-315

[9] VALENCY ELECTRON MOLECULAR ORBITAL CALCULATIONS .3. POLARIZABILITIES, SUSCEPTIBILITIES, AND NUCLEAR SHIELDING CONSTANTS WITH A SLIGHTLY EXTENDED BASIS SET [J].

DAVIES, DW .

MOLECULAR PHYSICS, 1971, 20 (04) :605-&

[10] VALENCY ELECTRON MOLECULAR ORBITAL CALCULATIONS .2. SELF-CONSISTENT PERTURBATION THEORY AND APPLICATIONS TO ELECTRIC POLARIZABILITIES [J].

DAVIES, DW .

MOLECULAR PHYSICS, 1969, 17 (05) :473-&

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