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unilogo Universität Stuttgart
Institute for Theoretical Chemistry

Pseudopotentials, ECPs

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Energy-Consistent Pseudopotentials of the Stuttgart/Cologne Group


Click an element in the periodic table to get the pseudopotential parameters and corresponding optimized valence basis sets.
Data format:
 
H Li Na K Rb Cs Fr Be Mg Ca Sr Ba Ra Sc Y La Ac La Ac Ti Zr Hf Rf Ce Th V Nb Ta Ha Pr Pa Cr Mo W Sg Nd U Mn Tc Re Bh Pm Np Fe Ru Os Hs Sm Pu Co Rh Ir Mt Eu Am Ni Pd Pt Uun Gd Cm Cu Ag Au Uuu Tb Bk Zn Cd Hg Uub Dy Cf B Al Ga In Tl Ho Es C Si Ge Sn Pb Er Fm N P As Sb Bi Tm Md O S Se Te Po Yb No F Cl Br I At Lu Lr He Ne Ar Kr Xe Rn verweis-sensitives Periodensystem