PaperFirst-principles calculations of self-diffusion constants in siliconPeter E. Blöchl, Enrico Smargiassi, et al.Physical Review Letters
PaperFinite-temperature characterization of ferrocene from first-principles molecular dynamics simulationsPeter Margl, Karlheinz Schwarz, et al.The Journal of Chemical Physics
PaperReaction of Methane with Rh(PH3)2Cl: A Dynamical Density Functional StudyPeter Margl, Tom Ziegler, et al.JACS
PaperGeneralized separable potentials for electronic-structure calculationsPeter E. BlöchlPhysical Review B
