CCL: about spin contamination in excited states

From: "Pierre Archirel" <pierre.archirel*|*u-psud.fr>
Subject: CCL: about spin contamination in excited states
Date: Wed, 17 Aug 2016 10:47:28 -0400

 Sent to CCL by: "Pierre  Archirel" [pierre.archirel]![u-psud.fr]
 Dear colleagues,
 This is an answer to Michael Morgan.
 I have used with success a somewhat rough and clumsy method for limiting
 spin contamination in excited states.
 My molecule was the cation of a closed shell EDOT molecule.
 You will find it in:
 P. Archirel et al. J. Phys. Chem. B 2015, 119, 52825298
 I hope this will help,
 Best wishes,
 Pierre Archirel, LCP, Universite Paris-Sud, Orsay France