EPMM
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| Synopsis |
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[-]epmm |
| Description |
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This keyword combines numerical evaluation of the exact Coulomb integral for the short-range with the Buckingham type multipole approximation for the long-range, to evaluate intermolecular electrostatic energies. |
| References |
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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." |