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Combination of the exact potential and multipole methods (EP/MM) for evaluation of intermolecular electrostatic interaction energies with pseudoatom representation of molecular electron densities

EngineeringNatural SciencesPhysical ChemistryAb-initio MethodComputational ChemistryMultipole MethodsQuantum ChemistryChemistryPseudoatom RepresentationMolecular Electron DensitiesBiophysicsTheoretical Electrochemistry