BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the sixth period for solid-state calculations

BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the sixth period for solid-state calculations

© 2021 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 42(2021), 15 vom: 05. Juni, Seite 1064-1072
1. Verfasser: Laun, Joachim (VerfasserIn)
Weitere Verfasser: Bredow, Thomas
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2021
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article 6th period CRYSTAL basis sets pob-TZVP-rev2 solid-state calculations
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