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  3. Aviat, Félix [Author]; Levitt, Antoine [Author]; Stamm, Benjamin [Author]; Maday, Yvon [Author]; Ren, Pengyu [Author]; Ponder, Jay W. [Author]; Lagardère, Louis [Author]; Piquemal, Jean-Philip [Author]

    Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations

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    Forschungszentrum Jülich: JuSER (Juelich Shared Electronic Resources), 2017

    Published in: Journal of chemical theory and computation 13(1), 180 - 190 (2017). doi:10.1021/acs.jctc.6b00981