Finite Element Approximations for Schrödinger Equations with Applications to Electronic Structure Computations
Year: 2008
Journal of Computational Mathematics, Vol. 26 (2008), Iss. 3 : pp. 310–323
Abstract
In this paper, both the standard finite element discretization and a two-scale finite element discretization for Schrödinger equations are studied. The numerical analysis is based on the regularity that is also obtained in this paper for the Schrödinger equations. Very satisfying applications to electronic structure computations are provided, too.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/2008-JCM-8627
Journal of Computational Mathematics, Vol. 26 (2008), Iss. 3 : pp. 310–323
Published online: 2008-01
AMS Subject Headings:
Copyright: COPYRIGHT: © Global Science Press
Pages: 14
Keywords: Error analysis Finite element Eigenvalue Quantum chemistry Schrödinger equation Two-scale.