Comment on "Combined open shell Hartree-Fock theory of atomic-molecular and nuclear systems" [J. Math. Chem. 42 (2007) 177]

被引：3

作者：

Plakhutin, Boris N. ^{[1
]}

Davidson, Ernest R. ^{[2
]}

机构：

[1] Russian Acad Sci, Boreskov Inst Catalysis, Lab Quantum Chem, Novosibirsk 630090, Russia

[2] Univ Washington, Dept Chem, Seattle, WA 98195 USA

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 2009年 / 45卷 / 03期

基金：

俄罗斯基础研究基金会;

关键词：

CONSISTENT-FIELD THEORY; COUPLING-COEFFICIENTS; WAVE-FUNCTIONS; SCF THEORY; SYMMETRY; IONS;

D O I：

10.1007/s10910-008-9396-1

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：859 / 866

页数：8

共 29 条

[21]

Plakhutin B. N., 2002, REV MODERN QUANTUM C, VI, P16

[22] Coupling coefficients "symmetry dilemma" in the restricted open-shell Hartree-Fock method [J].

Plakhutin, BN .

JOURNAL OF MATHEMATICAL CHEMISTRY, 1997, 22 (2-4) :203-233

[23] COUPLING-COEFFICIENTS FOR SYSTEMS WITH 2 OPEN ELECTRONIC SHELLS - TRANSITION-METAL IONS WITH P(M)D(N) CONFIGURATION [J].

PLAKHUTIN, BN ;

ARBUZNIKOV, AV ;

TROFIMOV, AB .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, 45 (04) :363-383

[24] VECTOR COUPLING-COEFFICIENTS FOR CALCULATIONS OF TRANSITION-METAL ATOMS AND IONS BY THE SCF COUPLING OPERATOR METHOD [J].

PLAKHUTIN, BN ;

ZHIDOMIROV, GM ;

ARBUZNIKOV, AV .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 41 (02) :311-325

[25] ASYMMETRIC SCF COUPLING-COEFFICIENTS FOR HIGHLY SYMMETRICAL OPEN-SHELL MOLECULES [J].

PLAKHUTIN, BN ;

ARBUZNIKOV, AV .

CHEMICAL PHYSICS LETTERS, 1995, 232 (03) :247-252

[26]

PLAKHUTIN BN, 1986, ZH STRUKT KHIM, V27, P3

[27] SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS [J].

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :179-185

[28]

ROOTHAAN CCJ, 1963, METHODS COMPUTATIONA, V2, P47

[29] APPLICABILITY OF SCF THEORY TO SOME OPEN-SHELL STATES OF CO, N2, AND O2 [J].

ROSE, JB ;

MCKOY, V .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (12) :5435-&

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