Is there still room for parameter free double hybrids? Performances of PBE0-DH and B2PLYP over extended benchmark sets

  1. Bousquet, D.
  2. Brémond, E.
  3. Sancho-García, J.C.
  4. Ciofini, I.
  5. Adamo, C.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9618,  1549-9626

Year of publication: 2013

Volume: 9

Issue: 8

Pages: 3444-3452

Type: Article

DOI: 10.1021/CT400358F GOOGLE SCHOLAR
Data source: Scopus