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Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets

Dániel Kánnár1, Attila Tajti1, Péter G Szalay1

  • 1Laboratory of Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University , P.O. Box 32, H-1518, Budapest 112, Hungary.

Journal of Chemical Theory and Computation
|December 14, 2016
PubMed

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