title: Daubechies wavelets as a basis set for density functional pseudopotential calculations.
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.
authors.affiliation: CEA, INAC, SP2M, L_Sim, 38054 Grenoble Cedex 9, FranceInstitut fur Physik, Universitat Basel, Klingelbergstr. 82, 4056 Basel, Switzerland. luigi.genovese@cea.fr
authors.forename: Luigi
authors.initials: L
authors.lastname: Genovese
authors.forename: Alexey
authors.initials: A
authors.lastname: Neelov
authors.forename: Stefan
authors.initials: S
authors.lastname: Goedecker
authors.forename: Thierry
authors.initials: T
authors.lastname: Deutsch
authors.forename: Seyed Alireza
authors.initials: SA
authors.lastname: Ghasemi
authors.forename: Alexander
authors.initials: A
authors.lastname: Willand
authors.forename: Damien
authors.initials: D
authors.lastname: Caliste
authors.forename: Oded
authors.initials: O
authors.lastname: Zilberberg
authors.forename: Mark
authors.initials: M
authors.lastname: Rayson
authors.forename: Anders
authors.initials: A
authors.lastname: Bergman
authors.forename: Reinhold
authors.initials: R
authors.lastname: Schneider