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    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)