Complete vs restricted active space perturbation theory calculation of the Cr2 potential energy surface

  1. Ruipérez, F.
  2. Aquilante, F.
  3. Ugalde, J.M.
  4. Infante, I.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9618,  1549-9626

Year of publication: 2011

Volume: 7

Issue: 6

Pages: 1640-1646

Type: Article

DOI: 10.1021/CT200048Z GOOGLE SCHOLAR
Data source: Scopus