Electronic Structure Calculations Using An Adaptive Wavelet Basis. Issue 1 (1998)

• Record Type: Journal Article
• Authors: Richie, D. A.; von Allmen, P.; Hess, K.; Martin, Richard M.
• Is Part Of: VLSI design. Volume 8:Issue 1/4(1998)
• Page Start: 159
• Page End: 163
• Publication Date: 1998
• Subjects: Wavelets -- multiresolution analysis -- electronic structure -- density functional theory -- adaptive basis; Integrated circuits -- Very large scale integration -- Periodicals; 621.395
• DOI: 10.1155/1998/62853
• Languages: English
• ISSNs: 1065-514X

Abstract

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.