Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3

Stephan P. A. Sauer, Marko Schreiber, Mario R. Silva-Junior, Walter Thiel
  • Journal of Chemical Theory and Computation, March 2009, American Chemical Society (ACS)
  • DOI: 10.1021/ct800256j

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http://dx.doi.org/10.1021/ct800256j

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