Daubechies wavelets as a basis set for density functional pseudopotential calculations
Materials Science
2013-02-18 v1
Abstract
Daubechies wavelets are a powerful systematic basis set for electronic structure calculations because they are orthogonal and localized both in real and Fourier space. We describe in detail how this basis set can be used to obtain a highly efficient and accurate method for density functional electronic structure calculations. An implementation of this method is available in the ABINIT free software package. This code shows high systematic convergence properties, very good performances and an excellent efficiency for parallel calculations.
Keywords
Cite
@article{arxiv.0804.2583,
title = {Daubechies wavelets as a basis set for density functional pseudopotential calculations},
author = {Luigi Genovese and Alexey Neelov and Stefan Goedecker and Thierry Deutsch and Seyed Alireza Ghasemi and Alexander Willand and Damien Caliste and Oded Zilberberg and Mark Rayson and Anders Bergman and Reinhold Schneider},
journal= {arXiv preprint arXiv:0804.2583},
year = {2013}
}
Comments
15 pages, 11 figures