most citedSecondary kinetic peak in the Kohn-Sham potential and its connection to the response step

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physics.chem-ph2022★ 1 cited

Secondary kinetic peak in the Kohn-Sham potential and its connection to the response step

Sara Giarrusso, Roeland Neugarten, Evert Jan Baerends +1

We consider a prototypical 1D model Hamiltonian for a stretched heteronuclear molecule and construct individual components of the corresponding KS potential, namely: the kinetic, t…