Mark Rayson
University of Basel
4 Papers
6 Citations
Mark Rayson is an academic researcher from University of Basel. The author has contributed to research in topics: Wavelet & ABINIT. The author has an hindex of 3, co-authored 4 publications.
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Papers
Daubechies wavelets as a basis set for density functional pseudopotential calculations
Luigi Genovese,Alexey Neelov,Stefan Goedecker,Thierry Deutsch,Seyed Alireza Ghasemi,Alexander Willand,Damien Caliste,Oded Zilberberg,Mark Rayson,Anders Bergman,Reinhold Schneider +10 more
TL;DR: This work describes in detail how this daubechies wavelets basis set can be used to obtain a highly efficient and accurate method for density functional electronic structure calculations.
416
Lagrange-Lobatto interpolating polynomials in the discrete variable representation
TL;DR: An explanation of the success of the identity approximation of Lagrange-Lobatto polynomials, including error bounds, is presented and results for hydrogen and the more nontrivial potentials of self-consistent all-electron density functional atomic calculations are given.
42
Low complexity method for large-scale self-consistent ab initio electronic-structure calculations without localization
TL;DR: In this article, a low complexity method to perform self-consistent electronic-structure calculations using the Kohn-Sham formalism of density functional theory is presented, where localization constraints are neither imposed nor required.
6
Daubechies wavelets as a basis set for density functional pseudopotential calculations
Luigi Genovese,Alexey Neelov,Stefan Goedecker,Thierry Deutsch,Seyed Alireza Ghasemi,Alexander Willand,Damien Caliste,Oded Zilberberg,Mark Rayson,Anders Bergman,Reinhold Schneider +10 more
TL;DR: In this paper, the authors describe how this basis set can be used to obtain a highly efficient and accurate method for density functional electronic structure calculations, and an implementation of this method is available in the ABINIT free software package.