Construction and Properties of Supplementary Solutions of the Hartree-Fock Equations for the Closed Shell | Sciact - CRIS-system of Boreskov Institute of Catalysis

Construction and Properties of Supplementary Solutions of the Hartree-Fock Equations for the Closed Shell Full article

Journal

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

Output data

Year: 1987, Volume: 28, Number: 6, Pages: 813-820 Pages count : 8 DOI: 10.1007/BF00745248

Tags

Physical Chemistry; Inorganic Chemistry; Closed Shell; Supplementary Solution

Authors

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

Affiliations

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 ANCAN

Submitted:	Jan 30, 1987
Published print:	Nov 1, 1987

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

Пока нет цитирований