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Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki, 2005, Volume 45, Number 2, Pages 327–329
(Mi zvmmf709)
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This article is cited in 1 scientific paper (total 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.
Received: 01.02.2002 Revised: 24.08.2004
Citation:
V. V. Popov, “Solution of the eigenvalue problem in the framework of the electron density method”, Zh. Vychisl. Mat. Mat. Fiz., 45:2 (2005), 327–329; Comput. Math. Math. Phys., 45:2 (2005), 314–316
Linking options:
https://www.mathnet.ru/eng/zvmmf709 https://www.mathnet.ru/eng/zvmmf/v45/i2/p327
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