Calculating excitation energies by extrapolation along adiabatic connections
نویسندگان
چکیده
Elisa Rebolini,1,2,4,* Julien Toulouse,1,2,† Andrew M. Teale,3,4,‡ Trygve Helgaker,4,§ and Andreas Savin1,2,∥ 1Sorbonne Universités, UPMC Université Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris, France 2CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris, France 3School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom 4Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway (Received 30 January 2015; published 30 March 2015)
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