Priblizhyennoye ryeshyeniye problyemyN-elyektronov v odnomyernom konfiguratsionnom prostranstvye

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Abstract

By a proper approximation of the interaction term in the Hartree energy expression a simple differential equation can be derived for the one-electron orbitals of a many-electron system. The total wave function and energy of the system are constructed from the successive eigenfunctions and eigenvalues of this equation which involves of the number of electrons as a parameter only. The method shows common features with others (Hartree-Fock without exchange, theory of geminals). The difficulties of the numerical calculations arising with other methods can be vastly reduced and, in spite of the great simplicity for He, Li and Be, promising accuracy is reached.

Original languageEnglish
Pages (from-to)315-322
Number of pages8
JournalActa Physica Academiae Scientiarum Hungaricae
Volume28
Issue number4
DOIs
Publication statusPublished - Apr 1970

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electron orbitals
eigenvectors
electrons
differential equations
eigenvalues
wave functions
energy
approximation
interactions

ASJC Scopus subject areas

  • Nuclear and High Energy Physics

Cite this

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abstract = "By a proper approximation of the interaction term in the Hartree energy expression a simple differential equation can be derived for the one-electron orbitals of a many-electron system. The total wave function and energy of the system are constructed from the successive eigenfunctions and eigenvalues of this equation which involves of the number of electrons as a parameter only. The method shows common features with others (Hartree-Fock without exchange, theory of geminals). The difficulties of the numerical calculations arising with other methods can be vastly reduced and, in spite of the great simplicity for He, Li and Be, promising accuracy is reached.",
author = "G. N{\'a}ray-Szab{\'o}",
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N2 - By a proper approximation of the interaction term in the Hartree energy expression a simple differential equation can be derived for the one-electron orbitals of a many-electron system. The total wave function and energy of the system are constructed from the successive eigenfunctions and eigenvalues of this equation which involves of the number of electrons as a parameter only. The method shows common features with others (Hartree-Fock without exchange, theory of geminals). The difficulties of the numerical calculations arising with other methods can be vastly reduced and, in spite of the great simplicity for He, Li and Be, promising accuracy is reached.

AB - By a proper approximation of the interaction term in the Hartree energy expression a simple differential equation can be derived for the one-electron orbitals of a many-electron system. The total wave function and energy of the system are constructed from the successive eigenfunctions and eigenvalues of this equation which involves of the number of electrons as a parameter only. The method shows common features with others (Hartree-Fock without exchange, theory of geminals). The difficulties of the numerical calculations arising with other methods can be vastly reduced and, in spite of the great simplicity for He, Li and Be, promising accuracy is reached.

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