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UM E-Theses Collection (澳門大學電子學位論文庫)

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Title

An adaptive finite element method for Kohn-Sham equation with multilevel correction

English Abstract

In this thesis, we introduce an adaptive finite element method for solving the KohnSham equation. With this new method, solving the Kohn-Sham equation is transformed to solve a series of boundary value problems on multilevel finite element spaces and a series of nonlinear eigenvalue problems on the coarsest finite element spaces. Based on this method, a priori estimate for the eigenpair approximation and the residual method a posteriori error estimation for the Kohn-Sham model are used to refine the mesh and improve the accuracy. In all, the proposed adaptive finite element method can improve the overall efficiency for solving nonlinear eigenvalue problem .

Issue date

2015.

Author

Shen, Ye Dan

Faculty

Faculty of Science and Technology

Department

Department of Mathematics

Degree

M.Sc.

Subject

Finite element method

Density functionals

Supervisor

Hu, Guang Hui

Files In This Item

Full-text (Intranet only)

Location
1/F Zone C
Library URL
991000749849706306