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20152026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

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cond-mat.str-el2015★ 34 cited

Reduced density-matrix functionals applied to the Hubbard dimer

Ebad Kamil, Robert Schade, Thomas Pruschke +1

Common density-matrix functionals, the Müller and the power functional, have been benchmarked for the half-filled Hubbard dimer, which allows to model the bond dissociation problem…