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

نتاج البحث: نشر في مجلة › مقالة › مراجعة النظراء

2 اقتباسات (Scopus)

ملخص

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.

اللغة الأصلية	الإنجليزيّة
الصفحات (من إلى)	531-534
عدد الصفحات	4
دورية	Chemical Physics Letters
مستوى الصوت	115
رقم الإصدار	6
المعرِّفات الرقمية للأشياء	https://doi.org/10.1016/0009-2614(85)85187-3
حالة النشر	نُشِر - 19 أبريل 1985
منشور خارجيًا	نعم

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10.1016/0009-2614(85)85187-3

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Link to publication in Scopus

قم بذكر هذا

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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",

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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 - https://www.scopus.com/pages/publications/26744447091

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

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

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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

ملخص

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الملفات والروابط الأخرى

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