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JOURNALS // Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki // Archive

Zh. Vychisl. Mat. Mat. Fiz., 2005 Volume 45, Number 2, Pages 327–329 (Mi zvmmf709)

This article is cited in 1 paper

Solution of the eigenvalue problem in the framework of the electron density method

V. V. Popov

Altai State Technical University

Abstract: The problem of finding the spectrum of a given electron density functional is reduced to the algebraic eigenvalue problem for a matrix depending only on the density. This technique is especially effective as applied to molecules, clusters, and solids. As usual, the accuracy of the result is determined by the completeness of the given basis.

Key words: algebraic eigenvalue problem for the matrix of electron density functional.

UDC: 517.958:530.145.6

Received: 01.02.2002
Revised: 24.08.2004


 English version:
Computational Mathematics and Mathematical Physics, 2005, 45:2, 314–316

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