The spin-projected Hartree-Fock method: Direct optimization schemes and stability conditions

International Journal of Quantum Chemistry ◽

10.1002/qua.560300205 ◽

1986 ◽

Vol 30 (2) ◽

pp. 239-264 ◽

Author(s):

Peter Karadakov

Keyword(s):

Stability Conditions ◽

Direct Optimization ◽

Hartree Fock ◽

Optimization Schemes

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New derivation of (in)stability conditions for projected Hartree-Fock solutions

International Journal of Quantum Chemistry ◽

10.1002/qua.560220514 ◽

1982 ◽

Vol 22 (5) ◽

pp. 1033-1036 ◽

Author(s):

P. Karadakov ◽

O. Casta??o

Keyword(s):

Stability Conditions ◽

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Stability conditions for the solutions of the hartree-fock equations. VII. Stability of some closed-shell nonalternant systems

International Journal of Quantum Chemistry ◽

10.1002/qua.560070110 ◽

1973 ◽

Vol 7 (1) ◽

pp. 87-108 ◽

Author(s):

W. G. Laidlaw

Keyword(s):

Closed Shell ◽

Stability Conditions ◽

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Stability conditions and nuclear rotations in the Hartree-Fock theory

Nuclear Physics ◽

10.1016/0029-5582(60)90048-1 ◽

1960 ◽

Vol 21 ◽

pp. 225-232 ◽

Author(s):

D.J. Thouless

Keyword(s):

Stability Conditions ◽

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Direct optimization of the AO density matrix in Hartree–Fock and Kohn–Sham theories

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00814-9 ◽

2000 ◽

Vol 327 (5-6) ◽

pp. 397-403 ◽

Author(s):

Trygve Helgaker ◽

Helena Larsen ◽

Jeppe Olsen ◽

Poul Jørgensen

Keyword(s):

Density Matrix ◽

Direct Optimization ◽

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Stability conditions for the solutions of the Hartree-Fock equations for the simple open-shell case

Chemical Physics Letters ◽

10.1016/0009-2614(69)80001-1 ◽

1969 ◽

Vol 3 (1) ◽

pp. 1-3 ◽

Author(s):

J. Paldus ◽

J. C̆ížek

Keyword(s):

Stability Conditions ◽

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Stability conditions for the solutions of the half-projected Hartree-Fock scheme. The lithium-hydride ground state

Physical Review A ◽

10.1103/physreva.15.1359 ◽

1977 ◽

Vol 15 (4) ◽

pp. 1359-1362 ◽

Author(s):

Yves Gabriel Smeyers ◽

Gerardo Delgado-Barrio

Keyword(s):

Ground State ◽

Lithium Hydride ◽

Stability Conditions ◽

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Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. II. Simple Open‐Shell Case

The Journal of Chemical Physics ◽

10.1063/1.1673419 ◽

1970 ◽

Vol 52 (6) ◽

pp. 2919-2936 ◽

Author(s):

J. Paldus ◽

J. Čĺžzek

Keyword(s):

Stability Conditions ◽

Molecular Systems ◽

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A general relation between the intrinsic convergence properties of SCF Hartree–Fock calculations and the stability conditions of their solutions

The Journal of Chemical Physics ◽

10.1063/1.446190 ◽

1983 ◽

Vol 79 (7) ◽

pp. 3421-3423 ◽

Author(s):

J. C. Facelli ◽

R. H. Contreras

Keyword(s):

General Relation ◽

Stability Conditions ◽

Convergence Properties ◽

Hartree Fock ◽

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Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. III. Rules for the Singlet Stability of Hartree–Fock Solutions ofπ‐Electronic Systems

The Journal of Chemical Physics ◽

10.1063/1.1674065 ◽

1970 ◽

Vol 53 (2) ◽

pp. 821-829 ◽

Author(s):

J. Čížek ◽

J. Paldus

Keyword(s):

Stability Conditions ◽

Electronic Systems ◽

Molecular Systems ◽

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Stability Conditions for the Solutions of the Hartree-Fock Equations for Atomic and Molecular Systems. V.The Nonanalytic Behavior of the Broken-Symmetry Solutions at the Branching Point

Physical Review A ◽

10.1103/physreva.3.525 ◽

1971 ◽

Vol 3 (2) ◽

pp. 525-527 ◽

Author(s):

J. Čížek ◽

J. Paldus

Keyword(s):

Broken Symmetry ◽

Stability Conditions ◽

Molecular Systems ◽

Hartree Fock ◽

Branching Point

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