Ab initio molecular simulations with numeric atom-centered orbitals. - Volker Blum; Ralf Gehrke; Felix Hanke; Paula Havu; Ville Havu; Xinguo Ren; Karsten Reuter; Matthias Scheffler (Comput. Phys. Commun., 2009)

Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions. - Ville Havu; Volker Blum; Paula Havu; Matthias Scheffler (J. Comput. Phys., 2009)