Year: 2006
Type: article
Abstract: 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. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Source: physica status solidi (b)
Authors: T. Torsti, T. Eirola, J. Enkovaara, T. Hakala, P. Havu, V. Havu, T. Höynälänmaa, J. Ignatius, M. Lyly, I. Makkonen, T. T. Rantala, J. Ruokolainen, K. Ruotsalainen, E. Räsänen, H. Saarikoski, M. J. Puska
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2170930163