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Updated: May 27, 2025

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Near-Basis-Set-Limit Double-Hybrid DFT Energies with Exceptionally Low Computational Costs

Dávid Mester1,2,3, Mihály Kállay1,2,3

  • 1Department of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.

The Journal of Physical Chemistry Letters
|February 20, 2025
PubMed

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