期刊
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
卷 243, 期 5, 页码 1016-1053出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssb.200541348
关键词
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A characteristic feature of the state-of-the-art of real-space methods in electronic structure calculations is the diversity of the techniques used in the discretization of the relevant partial differential equations. In this context, the main approaches include finite-difference methods, various types of finite-elements and wavelets. This paper reports on the results of several code development projects that approach problems related to the electronic structure using these three different discretization methods. We review the ideas behind these methods, give examples of their applications, and discuss their similarities and differences. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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