Frequently Asked Questions on the mean field configuration interaction method. I- Distinguishable degrees of freedom.

Patrick Cassam-Chenaï (1) , Amine Ilmane (1)

1 JAD - Laboratoire Jean Alexandre Dieudonné

The mean field configuration interaction (MFCI) method has been developped in recent years both for electrons (EMFCI) and molecular vibrations (VMFCI). The present article is the first part of a series, which provides complements and further details on this topics in the form of a "frequently asked questions" text. It focuses on the molecular vibrational problem.

Mots clés: mean field; configuration interaction; geminal and group functions; contracted vibrational modes

Domaines: Chimie théorique et/ou physique

Patrick Cassam-Chenaï, Amine Ilmane. Frequently Asked Questions on the mean field configuration interaction method. I- Distinguishable degrees of freedom.. Journal of Mathematical Chemistry, 2012, 50 (3), pp.652. ⟨10.1007/s10910-011-9912-6⟩. ⟨hal-00614495⟩