PaperImproved tetrahedron method for Brillouin-zone integrationsPeter E. Blöchl, O. Jepsen, et al.Physical Review B
PaperGeneralized separable potentials for electronic-structure calculationsPeter E. BlöchlPhysical Review B
PaperCombined static and dynamic density functional study of the Ti(IV) constrained geometry catalyst (CpSiH2NH)TiR+. 1. Resting states and chain propagationTom K. Woo, Peter M. Margl, et al.JACS
PaperElectronic structure of the Cu, Zn superoxide dismutase active site and its interactions with the substratePaolo Carloni, Peter E. Blöchl, et al.Journal of Physical Chemistry
