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arXiv math-ph/0605071math-phmath.MP
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非线性Poisson-Boltzmann方程的高效计算方法

Computationally Efficient Technique for Nonlinear Poisson-Boltzmann Equation

Sanjay Kumar Khattri

摘要:

非线性Poisson-Boltzmann方程的离散化导致具有对称雅可比矩阵的非线性方程组。牛顿算法是求解非线性方程组最有用的工具。它包括求解一系列线性方程组(雅可比系统)。在这篇文章中,我们自适应地定义雅可比系统的公差。数值实验表明,与传统方法相比,该方法可以节省大量的计算工作。该算法可以很容易地纳入现有的模拟器。

英文摘要:

Discretization of non-linear Poisson-Boltzmann Equation equations results in a system of non-linear equations with symmetric Jacobian. The Newton algorithm is the most useful tool for solving non-linear equations. It consists of solving a series of linear system of equations (Jacobian system). In this article, we adaptively define the tolerance of the Jacobian systems. Numerical experiment shows that compared to the traditional method our approach can save a substantial amount of computational work. The presented algorithm can be easily incorporated in existing simulators.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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