ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes

Simone Calvello, Matteo Piccardo, Shashank Vittal Rao, Alessandro Soncini. ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes. Journal of Computational Chemistry, 39(6):328-337, 2018. [doi]

Abstract

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