A Yukawa-field approximation of the electrostatic free energy of a molecular solvation system with an implicit or continuum solvent is constructed. It is argued through the analysis of model molecular systems with spherically symmetric geometries that such an approximation is rational. The construction extends non-trivially that of the Coulomb-field approximation which serves as a basis of the widely used generalized Born model of molecular electrostatics. The electrostatic free energy determines the dielectric boundary force that in turn influences crucially the molecular conformation, stability, and dynamics. An explicit formula of such forces with the Yukawa-field approximation is obtained using local coordinates and shape differentiation.

中文翻译：

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静电自由能和介电边界力的汤川场近似

构造了具有隐式或连续溶剂的分子溶剂化系统的静电自由能的汤川场近似。通过对具有球对称几何形状的模型分子系统的分析，认为这种近似是合理的。该构造非平凡地扩展了作为广泛使用的分子静电学广义波恩模型的基础的库仑场近似的构造。静电自由能决定了介电边界力，进而对分子构象、稳定性和动力学产生了至关重要的影响。使用局部坐标和形状微分获得了具有汤川场近似的这种力的明确公式。