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  1. No Access

    Article

    Distributed Gaussian orbitals for the description of electrons in an external potential

    In this work, we demonstrate the viability of using distributed Gaussian orbitals as a basis set for the calculation of the properties of electrons subjected to an external potential. We validate our method by...

    Léa Brooke, Alejandro Diaz-Marquez, Stefano Evangelisti… in Journal of Molecular Modeling (2018)

  2. No Access

    Article

    A rational reduction of CI expansions: combining localized molecular orbitals and selected charge excitations

    Based on localized molecular orbitals, the proposed method reduces large configuration interaction (CI) spaces while maintaining agreement with reference values. Our strategy concentrates the numerical effort ...

    Tim Krah, Nadia Ben Amor, Daniel Maynau, J. A. Berger… in Journal of Molecular Modeling (2014)

  3. No Access

    Article

    Possibilites d'application en analyse bromatologique de la chromatographie sur couches minces d'echangeurs d'ions et sur couches multiples juxtaposees

    En analyse bromatologique, la chromatographie sur couches minces classiques a été appliquée jusqu'alors essentiellement à des séparations de composés organiques. Il n'est pas doûteux cependant, que l'utilisati...

    J. A. Berger, J. Petit in Qualitas Plantarum et Materiae Vegetabiles (1968)