BSSE‐correction scheme for consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality for solid‐state calculations
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DOI: 10.1002/jcc.26013
Abstract: Revised versions of our published pob‐TZVP [Peintinger, M. F.; Oliveira, D. V. and Bredow, T., J. Comput. Chem., 2013, 34 (6), 451–459.] and unpublished pob‐DZVP basis sets, denoted as pob‐TZVP‐rev2 and pob‐DZVP‐rev2, have been derived… read more here.
Keywords: basis; consistent gaussian; scheme consistent; correction scheme ... See more keywords