NEW LOOK ON SCF THEORY

被引：8

作者：

CARBO, R ^{[1
]}

GALLIFA, R ^{[1
]}

RIERA, JM ^{[1
]}

机构：

[1] INST QUIM SARRIA,SECCION QUIM CUANTICA,BARCELONA 17,SPAIN

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 33卷 / 03期

关键词：

D O I：

10.1016/0009-2614(75)85770-8

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：545 / 549

页数：5

共 9 条

[1]

BAGUS PS, 1972, J CHEM PHYS, V56, P5191

[2] GENERALIZED OPEN-SHELL SCF THEORY [J].

CABALLOL, R ;

GALLIFA, R ;

RIERA, JM ;

CARBO, R .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (03) :373-394

[3] SOME REMARKS ABOUT A GENERALIZED SCF COUPLING OPERATOR OPEN-SHELL THEORY [J].

CARBO, R ;

GALLIFA, R ;

RIERA, JM .

CHEMICAL PHYSICS LETTERS, 1975, 30 (01) :43-48

[4] MC-SCF .1. MULTI-CONFIGURATION SELF-CONSISTENT-FIELD METHOD [J].

HINZE, J .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6424-6432

[5] GENERAL SCF OPERATOR SATISFYING CORRECT VARIATIONAL CONDITION [J].

HIRAO, K ;

NAKATSUI.H .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) :1457-1462

[6] COUPLING OPERATOR METHOD [J].

HIRAO, K .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (08) :3215-3222

[7] COUPLING OPERATOR METHOD IN SCF THEORY [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (09) :3971-&

[8]

MCWEENY R, 1974, MOL PHYS, V28, P40

[9] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89

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