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VLSI Design
Volume 8 (1998), Issue 1-4, Pages 159-163
http://dx.doi.org/10.1155/1998/62853

Electronic Structure Calculations Using An Adaptive Wavelet Basis

1Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana 61801, Illinois, USA
2Department of Physics, University of Illinois, Urbana 61801, Illinois, USA

Copyright © 1998 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

The use of a wavelet basis can lead to efficient methods for performing ab initio electronic structure calculations of inherently localized structures. In this work wavelets are used to construct an adaptive basis which is optimized dynamically throughout the calculation. The computational effort of such a method should scale linearly with the number of basis functions. The adaptive basis is tested for the case of bulk Si using only a local s-pseudopotential.