UM E-Theses Collection (澳門大學電子學位論文庫)
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 . Keywords: Kohn-Sham equation, Adaptive finite element method, Multilevel correction, A Posteriori error estimation.
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
Mathematics -- Department of Mathematics


Supervisor
Hu Guang Hui
Library URL
b3523211
Files In This Item:
Full-text (Intranet only)
Location
1/F Zone C
Supervisor
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