A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism

  1. Weatherby, J.A.
  2. Rumson, A.F.
  3. Price, A.J.A.
  4. Otero De La Roza, A.
  5. Johnson, E.R.
Journal:
Journal of Chemical Physics

ISSN: 1089-7690 0021-9606

Year of publication: 2022

Volume: 156

Issue: 11

Type: Article

DOI: 10.1063/5.0083082 GOOGLE SCHOLAR