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An analytical solution of fluctuating-charge models using Gaussianelimination allows us to isolate the contribution of charge conservationeffects in determining the charge distribution. We use this analytical solutionto calculate dipole moments and polarizabilities and show that chargeconservation plays a critical role in maintaining the correct translationalproperties of the electrostatic properties predicted by these models.

journal of chemical physics online/the journal of chemical physics/journal of chemical physics

A note on the role of charge conservation in electronegativity  equalization and its implications for the translational symmetries of  electrostatic properties in fluctuating-charge models