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Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in

Stephan P A Sauer1, Marko Schreiber1, Mario R Silva-Junior1

  • 1Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark, and Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany.

Journal of Chemical Theory and Computation
|November 27, 2015
PubMed

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