Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches

  1. Franco, L.
  2. Bonfil-Rivera, I.A.
  3. Huan Lew-Yee, J.F.
  4. Piris, M.
  5. M Del Campo, J.
  6. Vargas-Hernández, R.A.
Journal:
The Journal of chemical physics

ISSN: 1089-7690

Year of publication: 2024

Volume: 160

Issue: 24

Type: Article

DOI: 10.1063/5.0213719 GOOGLE SCHOLAR