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PGI-1 Talk: Prof. Dr. Benjamin Stamm

A perturbation-method-based post-processing of planewave approximations for nonlinear Schrödinger equations

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14 Sep 2016 11:30
venue
Seminar Room A1-3

Group of Computational Mathematics Center for Computational Engineering Science RWTH Aachen

Abstract:

In this talk we consider a post-processing of planewave approximations for nonlinear Schrödinger equations by considering the exact solution as a perturbation of the discrete, computable solution. Applying then Kato’s perturbation theory leads to computable corrections with a provable increase of the convergence rate in the asymptotic range for a very little computational overhead. We illustrate the mathematical key-features of this post-processing for the Gross-Pitaevskii equation that serves as a toy problem for DFT Kohn-Sham models. Finally some numerical illustrations in the context of DFT Kohn-Sham models are presented.

Contact

Prof. Dr. Stefan Blügel
Phone: +49 2461 61-4249
Fax: +49 2461 61-2850
email: s.bluegel@fz-juelich.de