Direct-Space Corrections Enable Fast and Accurate Lorentz–Berthelot Combination Rule Lennard-Jones Lattice Summation
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- Christian L. Wennberg
- Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
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- Teemu Murtola
- Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
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- Szilárd Páll
- Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
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- Mark J. Abraham
- Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
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- Berk Hess
- Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
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- Erik Lindahl
- Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden
この論文をさがす
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 11 (12), 5737-5746, 2015-11-20
American Chemical Society (ACS)