On the universal instability of the open-shell restricted hartree-fock method

M. M. Mestechkin; G. T. Klimko; G. E. Whyman

doi:10.1016/0009-2614(85)85187-3

On the universal instability of the open-shell restricted hartree-fock method

M. M. Mestechkin, G. T. Klimko, G. E. Whyman

פרסום מחקרי: פרסום בכתב עת › מאמר › ביקורת עמיתים

2 ציטוטים ‏(Scopus)

תקציר

The open-shell restricted Hartee-Fock (RHF) method is shown to be unstable with respect to spin-flipping variations for arbitrary spin s ≠ 0. Introducing the spin-purity restriction on the wavefunction variation removes this universal instability.

שפה מקורית	אנגלית
עמודים (מ-עד)	531-534
מספר עמודים	4
כתב עת	Chemical Physics Letters
כרך	115
מספר גיליון	6
מזהי עצם דיגיטלי (DOIs)	https://doi.org/10.1016/0009-2614(85)85187-3
סטטוס פרסום	פורסם - 19 אפר׳ 1985
פורסם באופן חיצוני	כן

גישה למסמך

10.1016/0009-2614(85)85187-3

קבצים וקישורים אחרים

Link to publication in Scopus

פורמט ציטוט ביבליוגרפי

@article{e4c21cd7430a4221981f3adc2ed83a09,

title = "On the universal instability of the open-shell restricted hartree-fock method",

abstract = "The open-shell restricted Hartee-Fock (RHF) method is shown to be unstable with respect to spin-flipping variations for arbitrary spin s ≠ 0. Introducing the spin-purity restriction on the wavefunction variation removes this universal instability.",

author = "Mestechkin, {M. M.} and Klimko, {G. T.} and Whyman, {G. E.}",

year = "1985",

month = apr,

day = "19",

doi = "10.1016/0009-2614(85)85187-3",

language = "אנגלית",

volume = "115",

pages = "531--534",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "6",

}

TY - JOUR

T1 - On the universal instability of the open-shell restricted hartree-fock method

AU - Mestechkin, M. M.

AU - Klimko, G. T.

AU - Whyman, G. E.

PY - 1985/4/19

Y1 - 1985/4/19

N2 - The open-shell restricted Hartee-Fock (RHF) method is shown to be unstable with respect to spin-flipping variations for arbitrary spin s ≠ 0. Introducing the spin-purity restriction on the wavefunction variation removes this universal instability.

AB - The open-shell restricted Hartee-Fock (RHF) method is shown to be unstable with respect to spin-flipping variations for arbitrary spin s ≠ 0. Introducing the spin-purity restriction on the wavefunction variation removes this universal instability.

UR - http://www.scopus.com/inward/record.url?scp=26744447091&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(85)85187-3

DO - 10.1016/0009-2614(85)85187-3

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:26744447091

SN - 0009-2614

VL - 115

SP - 531

EP - 534

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 6

ER -

On the universal instability of the open-shell restricted hartree-fock method

תקציר

גישה למסמך

קבצים וקישורים אחרים

טביעת אצבע

פורמט ציטוט ביבליוגרפי