ELEMENTARY UNITARY MO TRANSFORMATIONS AND SCF THEORY

被引：43

作者：

CARBO, R

DOMINGO, L

PERIS, JJ

机构：

来源：

ADVANCES IN QUANTUM CHEMISTRY | 1982年 / 15卷

关键词：

D O I：

10.1016/S0065-3276(08)60124-0

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：215 / 265

页数：51

共 105 条

[1]

[Anonymous], 1969, TOPOLOGY, DOI [DOI 10.1016/0040-9383(69)90018-4, 10. 1016/0040-9383(69)90018-4]

[2] QUANTUM TOPOLOGY OF MOLECULAR CHARGE-DISTRIBUTIONS .1 [J].

BADER, RFW ;

ANDERSON, SG ;

DUKE, AJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (06) :1389-1395

[3] QUANTUM TOPOLOGY OF MOLECULAR CHARGE-DISTRIBUTIONS .2. MOLECULAR-STRUCTURE AND ITS CHANGE [J].

BADER, RFW ;

NGUYENDANG, TT ;

TAL, Y .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (09) :4316-4329

[4] QUANTUM TOPOLOGY OF MOLECULAR CHARGE-DISTRIBUTIONS .3. THE MECHANICS OF AN ATOM IN A MOLECULE [J].

BADER, RFW .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (06) :2871-2883

[5] CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS [J].

BANERJEE, A ;

GREIN, F .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (01) :123-134

[6] IMPROVED CONVERGENCE IN ORBITAL LOCALIZATION METHODS [J].

BARR, R ;

BASCH, H .

CHEMICAL PHYSICS LETTERS, 1975, 32 (03) :537-540

[7] FINE-STRUCTURE IN CAUSTIC JUNCTIONS [J].

BERRY, MV ;

NYE, JF .

NATURE, 1977, 267 (5606) :34-36

[8] CUSPED RAINBOWS AND INCOHERENCE EFFECTS IN RIPPLING-MIRROR MODEL FOR PARTICLE SCATTERING FROM SURFACES [J].

BERRY, MV .

JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1975, 8 (04) :566-+

[9] ACCELERATED CONVERGENCE IN SCF CALCULATIONS AND LEVEL SHIFTING TECHNIQUE [J].

BHATTACHARYYA, SP .

CHEMICAL PHYSICS LETTERS, 1978, 56 (02) :395-398

[10]

Brillouin L., 1934, CHAMPS SELF CONSISTE

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