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Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations

Konstantinos D Vogiatzis1, Dongxia Ma1, Jeppe Olsen2

  • 1Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455-0431, USA.

The Journal of Chemical Physics
|November 17, 2017
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