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Volume 26, Issue 3
Finite Element Approximations for Schrödinger Equations with Applications to Electronic Structure Computations

Xin-Gao Gong, Lihua Shen, Dier Zhang & Aihui Zhou

J. Comp. Math., 26 (2008), pp. 310-323.

Published online: 2008-06

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  • 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.

  • Keywords

Error analysis, Finite element, Eigenvalue, Quantum chemistry, Schrödinger equation, Two-scale.

  • AMS Subject Headings

65F15, 65N15, 65N20, 65N30.

  • Copyright

COPYRIGHT: © Global Science Press

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@Article{JCM-26-310, author = {Xin-Gao Gong, Lihua Shen, Dier Zhang and Aihui Zhou}, title = {Finite Element Approximations for Schrödinger Equations with Applications to Electronic Structure Computations}, journal = {Journal of Computational Mathematics}, year = {2008}, volume = {26}, number = {3}, pages = {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.

}, issn = {1991-7139}, doi = {https://doi.org/}, url = {http://global-sci.org/intro/article_detail/jcm/8627.html} }
TY - JOUR T1 - Finite Element Approximations for Schrödinger Equations with Applications to Electronic Structure Computations AU - Xin-Gao Gong, Lihua Shen, Dier Zhang & Aihui Zhou JO - Journal of Computational Mathematics VL - 3 SP - 310 EP - 323 PY - 2008 DA - 2008/06 SN - 26 DO - http://doi.org/ UR - https://global-sci.org/intro/article_detail/jcm/8627.html KW - Error analysis, Finite element, Eigenvalue, Quantum chemistry, Schrödinger equation, Two-scale. AB -

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.

Xin-Gao Gong, Lihua Shen, Dier Zhang and Aihui Zhou. (2008). Finite Element Approximations for Schrödinger Equations with Applications to Electronic Structure Computations. Journal of Computational Mathematics. 26 (3). 310-323. doi:
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