New Approach to the Correlation Problem: Electron Interaction Potential as a Variable in Solving the Many-Particle Schrödinger Equation Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 2008, Volume: 49, Number: 3, Pages: 387-394 Pages count : 8 DOI: 10.1007/s10947-008-0055-y | ||
Tags | Electron-electron correlations, Generalized Hartree-Fock equations, Ionization energies of helium-like ions | ||
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Abstract:
The many-electron wave function is represented as the product of the wave function of the independent particles and the function that depends only on the value of the interelectron interaction potential. The function defines the electron correlation effects; a standard linear differential equation was derived to define the function. The equation depends on the functions of independent particles; a generalization of the Hartree-Fock equations including electron correlation was obtained for these functions. The total energy calculation of two-electron ions shows that even solving an ordinary differential equation for the function of independent particles represented by the functions of noninteracting electrons leads to higher accuracy than the one achieved in the Hartree-Fock theory.
Cite:
Tapilin V.M.
New Approach to the Correlation Problem: Electron Interaction Potential as a Variable in Solving the Many-Particle Schrödinger Equation
Journal of Structural Chemistry. 2008. V.49. N3. P.387-394. DOI: 10.1007/s10947-008-0055-y WOS Scopus РИНЦ
New Approach to the Correlation Problem: Electron Interaction Potential as a Variable in Solving the Many-Particle Schrödinger Equation
Journal of Structural Chemistry. 2008. V.49. N3. P.387-394. DOI: 10.1007/s10947-008-0055-y WOS Scopus РИНЦ
Original:
Тапилин В.М.
Новый подход к проблеме корреляции: величина потенциала межэлектронного взаимодействия как переменная при решении многочастичного уравнения Шредингера
Журнал структурной химии. 2008. Т.49. №3. С.407-414. RSCI РИНЦ
Новый подход к проблеме корреляции: величина потенциала межэлектронного взаимодействия как переменная при решении многочастичного уравнения Шредингера
Журнал структурной химии. 2008. Т.49. №3. С.407-414. RSCI РИНЦ
Dates:
Submitted: | Jul 30, 2007 |
Published print: | May 1, 2008 |
Published online: | Sep 18, 2008 |
Identifiers:
Web of science | WOS:000258261900001 |
Scopus | 2-s2.0-52149111859 |
Elibrary | 13570268 |
Chemical Abstracts | 2008:1032312 |
Chemical Abstracts (print) | 149:519439 |
OpenAlex | W2066031069 |