Benchmarking Post-Hartree-Fock Methods To Describe the Nonlinear Optical Properties of Polymethines: An Investigation of the Accuracy of Algebraic Diagrammatic Construction (ADC) Approaches.

Knippenberg, Stefan; Gieseking, Rebecca L; Rehn, Dirk R; Mukhopadhyay, Sukrit; Dreuw, Andreas; Brédas, Jean-Luc

Knippenberg, Stefan; Gieseking, Rebecca L; Rehn, Dirk R; Mukhopadhyay, Sukrit; Dreuw, Andreas; Brédas, Jean-Luc.

Afiliación

Knippenberg S; Division of Theoretical Chemistry and Biology, KTH Royal Institute of Technology , Roslagstullsbacken 15, S-106 91 Stockholm, Sweden.
Gieseking RL; School of Chemistry and Biochemistry and Center for Organic Materials for All-Optical Switching (COMAS), Georgia Institute of Technology , Atlanta, Georgia 30332-0400, United States.
Rehn DR; Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208, United States.
Mukhopadhyay S; Department of Physics, Chemistry and Biology, Linköping University , S-581 83 Linköping, Sweden.
Dreuw A; School of Chemistry and Biochemistry and Center for Organic Materials for All-Optical Switching (COMAS), Georgia Institute of Technology , Atlanta, Georgia 30332-0400, United States.
Brédas JL; Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University , Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.

J Chem Theory Comput ; 12(11): 5465-5476, 2016 Nov 08.

Article en En | MEDLINE | ID: mdl-27715035

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Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Chem Theory Comput Año: 2016 Tipo del documento: Article País de afiliación: Suecia

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