Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model

Huajie Chen, Xingao Gong, Aihui Zhou · Mathematical Methods in the Applied Sciences · 2010

In this paper, we study numerical approximations of a nonlinear eigenvalue problem and consider applications to a density functional model. We prove the convergence of numerical approximations. In particular, we establish several upper bounds of approximation errors and report some numerical results of finite element electronic structure calculations that support our theory. Copyright © 2010 John Wiley & Sons, Ltd.

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