collaborators

1 paper

cond-mat.other2007

Optimized Gaussian exponents for Goedecker-Teter-Hutter pseudopotentials

Eeuwe S. Zijlstra, Nils Hunteman, Alan Kalitsov +2

We have optimized the exponents of Gaussian s and p basis functions for the elements H, B-F, and Al-Cl using the pseudopotentials of Goedecker, Teter, and Hutter [Phys. Rev. B 54,…