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Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations

M Burkatzki1, Claudia Filippi, M Dolg

  • 1Institute for Theoretical Chemistry, University of Cologne, Greinstr. 4, 50939 Cologne, Germany. m.burkatzki@gmx.de

The Journal of Chemical Physics
|December 3, 2008
PubMed

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