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2019
Conference Paper
Title

Stable and efficient quantum mechanical calculations with PUMA on triclinic lattices

Abstract
In this paper we are concerned with the efficient approximation of the Schrödinger eigenproblem using an orbital-enriched flat-top partition of unity method on general triclinic cells. To this end, we generalize the approach presented in Albrecht et al. (Comput. Meth. Appl. Mech. Eng. 342:224-239, 2018) via a simple yet effective transformation approach and discuss its realization in the PUMA software framework. The presented results clearly show that the proposed scheme attains all convergence and stability properties presented in Albrecht et al. (Comput. Meth. Appl. Mech. Eng. 342:224-239, 2018).
Author(s)
Albrecht, C.
Klaar, C.
Schweitzer, M.A.
Mainwork
Meshfree methods for partial differential equations IX  
Conference
International Workshop on Meshfree Methods for Partial Differential Equations 2017  
DOI
10.1007/978-3-030-15119-5_11
Language
English
Fraunhofer-Institut für Algorithmen und Wissenschaftliches Rechnen SCAI  
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