files have been prepared by Patrick Müller <patrick.mueller@uni-paderborn.de>
6-311++G(3df,3pd)
K Ca Ga Ge As Se Br Kr: Frank Jensen, Polarization Consistent Basis Sets. VII. The Elements K, Ca, Ga, Ge, As, Se, Br and Kr, J. Chem. Phys. 136, 094110 (2012).
pc-1,pc-2,pc-3,pc-4
K Ca Ga Ge As Se Br Kr: Frank Jensen, Polarization Consistent Basis Sets. VII. The Elements K, Ca, Ga, Ge, As, Se, Br and Kr, J. Chem. Phys. 136, 094110 (2012).
Sc Ti V Cr Mn Fe Co Ni Cu Zn: Frank Jensen, Polarization Consistent Basis Sets. VIII. The Transition Metals Sc-Zn, J. Chem. Phys. 138, 014107 (2013).
Def2-SV(P)
H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn : F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005).
pob-DZVP
H Li Be B C N O F Na Mg Al Si P S Cl K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations. Priv. Commun.
pob-TZVPP
H Li Be O F Na Si S Cl K Ca Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations. J. Comput. Chem. (2013), 34, 451-459. DOI: 10.1002/jcc.23153
