{
  "abstract": "The Cr2 potential energy curve is obtained by treating the dynamical correlation energy terms using a CI procedure based on determinants, equivalent to multi-reference second-order perturbation theory with the Epstein-Nesbet partition of the Hamiltonian. One of the advantages of this treatment is that the level shifts required for the equivalent Møller-Plesset type of treatment to eliminate intruder states and avoid divergences in the ground state second-order energy expression, are not required. Moreover, by truncating the reference space, the dynamical and the non-dynamical correlation energy is included also for the 3s, 3p electrons. The potentials are compared to experiment and to the most accurate theoretical potential curves in the literature.",
  "author": "Mitrushenkov, Alexander O. and Palmieri, Paolo",
  "author_list": [
    {
      "affiliation": [],
      "family": "Mitrushenkov",
      "given": "Alexander O."
    },
    {
      "affiliation": [],
      "family": "Palmieri",
      "given": "Paolo"
    }
  ],
  "doi": "10.1016/S0009-2614(97)04014-1",
  "firstpage": "285",
  "issn": "0009-2614",
  "issue": "4-6",
  "journal": "Chemical Physics Letters",
  "lastpage": "290",
  "online_date": "1998/04/14",
  "pages": "285-290",
  "publication_date": "1997/10/31",
  "publisher": "North-Holland",
  "title": "Epstein-Nesbet second-order perturbation treatment of dynamical electron correlation and ground state potential energy curve of Cr2",
  "type": "article",
  "url": "https://www.sciencedirect.com/science/article/abs/pii/S0009261497040141",
  "volume": "278",
  "year": "1997"
}