Compact representation of generalized molecular polarizabilities and efficient calculation of polarization energy in an arbitrary electric field
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DOI: 10.1002/qua.26792
Abstract: Generalized polarizabilities and the molecular charge distribution can describe the response of a molecule in an arbitrary static electric field up to second order. Depending on the expansion functions used to describe the perturbing potential,… read more here.
Keywords: generalized polarizability; compact representation; field; polarization ... See more keywords