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Accuracy and Scaling Factors of Non-Empirical Double-Hybrid Density Functionals for Harmonic and Fundamental

B Miguel1,2, E Brémond3, A J Pérez-Jiménez1

  • 1Department of Physical Chemistry, University of Alicante, Alicante, Spain.

Journal of Computational Chemistry
|December 31, 2025
PubMed

Keywords:
ZPVEaccuracydouble‐hybrid density functionalsharmonic frequenciesscale factorsvibrational frequencies

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