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Analytical Gradients of Hartree-Fock Exchange with Density Fitting Approximations

Jonas Boström1, Francesco Aquilante2,3, Thomas Bondo Pedersen4

  • 1Department of Theoretical Chemistry, Chemical Center, University of Lund, P.O. Box 124 S-221 00 Lund, Sweden.

Journal of Chemical Theory and Computation
|November 22, 2015
PubMed

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