Articles with "functionals applied" as a keyword



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Nonempirical (double‐hybrid) density functionals applied to atomic excitation energies: A systematic basis set investigation

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Published in 2020 at "International Journal of Quantum Chemistry"

DOI: 10.1002/qua.26193

Abstract: L.H.M. acknowledges the “Instituto Universitario de Materiales (IUMA)” for a research internship. The work in Alicante is supported by the projects AICO/2018/175 from the Regional Government (GVA/FSE) and FIS2015-64222-C2-2-P from the “Ministerio de Ciencia, Innovacion… read more here.

Keywords: double hybrid; functionals applied; applied atomic; nonempirical double ... See more keywords