Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study.

Sauri, Vicenta; Serrano-Andrés, Luis; Shahi, Abdul Rehaman Moughal; Gagliardi, Laura; Vancoillie, Steven; Pierloot, Kristine

Sauri, Vicenta; Serrano-Andrés, Luis; Shahi, Abdul Rehaman Moughal; Gagliardi, Laura; Vancoillie, Steven; Pierloot, Kristine.

Afiliación

Sauri V; Instituto de Ciencia Molecular, Universitat de València, P.O. Box 22085, ES-46071 Valencia, Spain, Department of Physical Chemistry, University of Geneva, 30, q. E. Ansermet, 1211 Genève, Switzerland, Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE,
Serrano-Andrés L; Instituto de Ciencia Molecular, Universitat de València, P.O. Box 22085, ES-46071 Valencia, Spain, Department of Physical Chemistry, University of Geneva, 30, q. E. Ansermet, 1211 Genève, Switzerland, Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE,
Shahi AR; Instituto de Ciencia Molecular, Universitat de València, P.O. Box 22085, ES-46071 Valencia, Spain, Department of Physical Chemistry, University of Geneva, 30, q. E. Ansermet, 1211 Genève, Switzerland, Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE,
Gagliardi L; Instituto de Ciencia Molecular, Universitat de València, P.O. Box 22085, ES-46071 Valencia, Spain, Department of Physical Chemistry, University of Geneva, 30, q. E. Ansermet, 1211 Genève, Switzerland, Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE,
Vancoillie S; Instituto de Ciencia Molecular, Universitat de València, P.O. Box 22085, ES-46071 Valencia, Spain, Department of Physical Chemistry, University of Geneva, 30, q. E. Ansermet, 1211 Genève, Switzerland, Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE,
Pierloot K; Instituto de Ciencia Molecular, Universitat de València, P.O. Box 22085, ES-46071 Valencia, Spain, Department of Physical Chemistry, University of Geneva, 30, q. E. Ansermet, 1211 Genève, Switzerland, Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE,

J Chem Theory Comput ; 7(1): 153-68, 2011 Jan 11.

Article en En | MEDLINE | ID: mdl-26606229

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2011 Tipo del documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2011 Tipo del documento: Article