%0 Journal Article
%T Effective and accurate representation of extended Bloch states on finite Hilbert spaces
%A Luis A. Agapito
%A Andrea Ferretti
%A Arrigo Calzolari
%A Stefano Curtarolo
%A Marco Buongiorno Nardelli
%J Physics
%D 2013
%I arXiv
%R 10.1103/PhysRevB.88.165127
%X We present a straightforward, noniterative projection scheme that can represent the electronic ground state of a periodic system on a finite atomic-orbital-like basis, up to a predictable number of electronic states and with controllable accuracy. By co-filtering the projections of plane-wave Bloch states with high-kinetic-energy components, the richness of the finite space and thus the number of exactly-reproduced bands can be selectively increased at a negligible computational cost, an essential requirement for the design of efficient algorithms for electronic structure simulations of realistic material systems and massive high-throughput investigations.
%U http://arxiv.org/abs/1310.0060v1