Direct-Space Corrections Enable Fast and Accurate Lorentz–Berthelot Combination Rule Lennard-Jones Lattice Summation

  • Christian L. Wennberg
    Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
  • Teemu Murtola
    Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
  • Szilárd Páll
    Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
  • Mark J. Abraham
    Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
  • Berk Hess
    Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
  • Erik Lindahl
    Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden

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