Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

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Submitted on : Sunday, May 12, 2019 - 10:33:56 PM
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G. Andrés Cisneros, Jean-Philip Piquemal, Thomas Darden. Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods. Journal of Chemical Physics, American Institute of Physics, 2006, 125 (18), pp.184101. ⟨10.1063/1.2363374⟩. ⟨hal-02126808⟩

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