Accurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methods

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Szymon Śmiga1,2,3, Fabio Della Sala1,3, Adam Buksztel2

  • 1Istituto Nanoscienze-CNR, Euromediterranean Center for Nanomaterial Modelling and Technology (ECMT), via Arnesano, Lecce, 73100.

Journal of Computational Chemistry
|July 1, 2016
PubMed

Keywords:
ionization potentialoptimized effective potential methodspin component scaled method

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