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Variational formulation for the electrostatic potential in dielectric continua

机译:电介质连续体中静电势的变分公式

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摘要

The thermodynamic potential for fixed charges in dielectric continua is given for arbitrary values of the polarization density. Minimization of the functional gives the equilibrium polarization density (equivalently image charges) and the electrostatic potential througnout the media. The functional, which in general involves volume integrals, for the case of piecewise uniform dielectrica is reduced to surface integrals of the constrained surface charge density at the dielectric discontinuities. A linear integral equation for the liduced surface charge, which can be solved by iteration, is given. The conjugate thermodynamic force for the constrained surface charge is also given. The latter formulation is suitable for Car-Parrinello or Lagrangian molecular dynamics in complex geometries.
机译:对于极化密度的任意值,给出了介电连续体中固定电荷的热力学势。功能的最小化会提供平衡的极化密度(等效为图像电荷)和整个介质的静电势。对于分段均匀的电介质,通常涉及体积积分的泛函在电介质不连续处减小为受约束的表面电荷密度的表面积分。给出了可引起的表面电荷的线性积分方程,该方程可以通过迭代求解。还给出了约束表面电荷的共轭热力学力。后一种配方适用于复杂几何形状中的Car-Parrinello或Lagrangian分子动力学。

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