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Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking

Manuel Hodecker1, Sebastian M Thielen1, Junzi Liu2

  • 1Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 205, D-69120 Heidelberg, Germany.

Journal of Chemical Theory and Computation
|May 13, 2020
PubMed

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