Recent Publications

Myrta Gruening

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  1. Title: Exchange-correlation energy and potential as approximate functionals of occupied and virtual Kohn–Sham orbitals: Application to dissociating H2

    Author(s): Gruening M., Gritsenko O., Baerends E.

    Journal of Chemical Physics, 118, pp. 7183- (2003)

    Abstract


  2. Title: STO and GTO field-induced polarization functions for H to Kr

    Author(s): Chong D., Gruening M., , Baerends E.

    Journal of Computational Chemistry, 24, pp. 1582-1591 (2003)

    Abstract