Daubechies wavelets as a basis set for density functional pseudopotential calculations

Luigi Genovese (1) , Alexey Neelov (2) , Stefan Goedecker (2) , Thierry Deutsch (1) , Seyed Alireza Ghasemi (2) , Alexander Willand (2) , Damien Caliste (1) , Oded Zilberberg (2) , Mark Rayson (2) , Reinhold Schneider (3) , Anders Bergman (1)

1 LSIM - Laboratory of Atomistic Simulation
2 Unibas - Université de Bâle = University of Basel = Basel Universität
3 TU - Technical University of Berlin / Technische Universität Berlin

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Luigi Genovese, Alexey Neelov, Stefan Goedecker, Thierry Deutsch, Seyed Alireza Ghasemi, et al.. Daubechies wavelets as a basis set for density functional pseudopotential calculations. Journal of Chemical Physics, 2008, 129 (1), pp.014109. ⟨10.1063/1.2949547⟩. ⟨hal-02194904⟩