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

生成讲解博客的中文版本

生成AI智能校验的中文版本