BSSE‐corrected consistent Gaussian basis sets of triple‐zeta valence with polarization quality of the fifth period for solid‐state calculations
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DOI: 10.1002/jcc.26839
Abstract: Revised versions of our published pob‐TZVP basis sets [Laun, J.; Vilela Oliveira, D. and Bredow, T., J. Comput. Chem., 2018, 39 (19), 1285–1290] have been derived for periodic quantum‐chemical solid‐state calculations. They complete our pob‐TZVP‐rev2… read more here.
Keywords: basis sets; fifth period; state calculations; basis ... See more keywords