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Asymptotic extrapolation scheme for large-scale calculations with hybrid coupled cluster and molecular dynamics

Karol Kowalski1, Marat Valiev

  • 1William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P. O. Box 999, Richland, Washington 99352, USA. karol.kowalski@pnl.gov

The Journal of Physical Chemistry. A
|December 1, 2006
PubMed

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