COMPARISON OF DIFFERENT DODS METHODS WHEN NUMBER OF ELECTRONS INCREASES

被引：20

作者：

MAYER, I ^{[1
]}

KERTESZ, M ^{[1
]}

机构：

[1] HUNGARIAN ACAD SCI,CENT RES INST CHEM,H-1525 BUDAPEST 17,HUNGARY

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1976年 / 10卷 / 06期

关键词：

D O I：

10.1002/qua.560100606

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：961 / 966

页数：6

共 14 条

[1] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[2]

BERGGREN KF, 1968, INT J QUANTUM CHEM, V2, P483

[3]

BICZO G, UNPUBLISHED WORK

[4] STUDY OF AMO METHOD AS APPLIED TO LITHIUM METAL .1. REVIEW, RESULTS, AND DISCUSSION [J].

CALAIS, JL ;

SPERBER, G .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (03) :501-520

[5] PPP DODS CRYSTAL ORBITAL CALCULATION OF POLYENE, POLYFORMAMIDE, POLYCYTOSINE AND POLY(S-TRIAZINE) [J].

KERTESZ, M ;

SUHAI, S ;

LADIK, J .

ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1974, 36 (01) :77-90

[6] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .3. EXTENSION OF THE HARTREE-FOCK SCHEME TO INCLUDE DEGENERATE SYSTEMS AND CORRELATION EFFECTS [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1955, 97 (06) :1509-1520

[7] BAND THEORY, VALENCE BOND, AND TIGHT-BINDING CALCULATIONS [J].

LOWDIN, PO .

JOURNAL OF APPLIED PHYSICS, 1962, 33 (01) :251-+

[8] RELATIONSHIP BETWEEN UNRESTRICTED AND EXTENDED HARTREE-FOCK WAVE FUNCTIONS AS FUNCTION OF NUMBER OF ELECTRONS [J].

MARTINO, F ;

LADIK, J .

PHYSICAL REVIEW A, 1971, 3 (03) :862-&

[9] SPIN-PROJECTED EHF METHOD .3. APPLICATIONS TO PI-ELECTRON SYSTEMS [J].

MAYER, I ;

KERTESZ, M .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (03) :527-536

[10] SPIN PROJECTED EXTENDED HARTREE-FOCK EQUATIONS [J].

MAYER, I ;

LADIK, J ;

BICZO, G .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (03) :583-608

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