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IAS Seminar: Numerical analysis of augmented plane waves methods

Anfang
26.04.2012 15:15 Uhr
Ende
26.04.2012 16:15 Uhr
Veranstaltungsort
Jülich Supercomputing Centre, Hörsaal, Geb. 16.3, R. 006
Referent:
Prof. Dr. Reinhold Schneider, Institut für Mathematik, TU Berlin
Inhalt:
We analyze the augmented plane wave methods which are widely used in full-potential electronic structure calculations. We introduce a nonconforming method and the augmented methods are viewed as a special case. A priori error estimate is given and numerical experiments are presented to support our theory. Parts of the results are extended to Numerical Atomic Orbital basis functions.
Zeit:
Thursday, 26 April 2012, 15:15
Ort:
Jülich Supercomputing Centre, Hörsaal, building 16.3, room 006
Ankündigung als pdf:
 Numerical analysis of augmented plane waves methods (PDF, 29 kB)

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