Construction and Properties of Supplementary Solutions of the Hartree-Fock Equations for the Closed Shell | Sciact - CRIS-система Института катализа

Construction and Properties of Supplementary Solutions of the Hartree-Fock Equations for the Closed Shell Научная публикация

Журнал

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Вых. Данные

Год: 1987, Том: 28, Номер: 6, Страницы: 813-820 Страниц : 8 DOI: 10.1007/BF00745248

Ключевые слова

Physical Chemistry; Inorganic Chemistry; Closed Shell; Supplementary Solution

Авторы

Plakhutin B.N. ¹ , Zhidomirov G.M. ¹ , Mestechkin M.M. ²

Организации

1	Catalysis Institute, Siberian Branch, Academy of Sciences of the USSR
2	Institute of Physical Organic and Coal Chemistry, Donetsk

We describe a method for constructing supplementary (fully symmetric) solutions of the Hartree-Fock equations. We discuss their stability and various criteria for choosing a proper method for filling one-electron levels in order to obtain the solution with the smallest energy.

Plakhutin B.N. , Zhidomirov G.M. , Mestechkin M.M.
Construction and Properties of Supplementary Solutions of the Hartree-Fock Equations for the Closed Shell
Journal of Structural Chemistry. 1987. V.28. N6. P.813-820. DOI: 10.1007/BF00745248 WOS Scopus РИНЦ OpenAlex

Плахутин Б.Н. , Жидомиров Г.М. , Местечкин М.М.
Построение и свойства добавочных решений уравнений Хартри - Фока для замкнутой оболочки
Журнал структурной химии. 1987. Т.28. №6. С.3-12. РИНЦ CAPlusCA

Поступила в редакцию:	30 янв. 1987 г.
Опубликована в печати:	1 нояб. 1987 г.

Web of science:	WOS:A1987P126600001
Scopus:	2-s2.0-34250095820
РИНЦ:	23753095
OpenAlex:	W2036143307

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