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

Electronic Structure - Modeling Properties

Publication Details

  • Authors: K. D. Vogiatzis, D. Ma, J. Olsen, L. Gagliardi, and W. A. de Jong
  • Publication Number: 281
  • Year: 2017
  • Journal: J. Chem. Phys.

Full Citation

K. D. Vogiatzis, D. Ma, J. Olsen, L. Gagliardi, and W. A. de Jong, Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations, J. Chem. Phys., 2017, 147, 184111. DOI: 10.1063/1.4989858