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Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation Theory

Rohini C Lochan1, Yihan Shao1, Martin Head-Gordon1

  • 1Department of Chemistry, University of California, Berkeley, California 94720, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 and Q-Chem, Inc., Pittsburgh, Pennsylvania 15213.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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