Piserchia Andrea, Barone Vincenzo
Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy.
Phys Chem Chem Phys. 2015 Jul 14;17(26):17362-74. doi: 10.1039/c5cp02060c.
We present a new general framework for solving the monodimensional Smoluchowski equation using a discrete variable representation (DVR) based on the so called sinc basis set. The reliability of our implementation is assessed by comparing the convergence of diffusive operator eigenvalues calculated using our method and using a simple finite difference scheme for some model diffusive problems. The results here presented open encouraging possibilities for dealing with more complicated systems, where additional coordinate dependent terms in the equation or multidimensional treatments are needed and traditional methods often become unfeasible.
我们提出了一种新的通用框架，用于使用基于所谓的 sinc 基集的离散变量表示（DVR）来求解一维 Smoluchowski 方程。通过比较使用我们的方法和简单有限差分格式计算的一些模型扩散问题的扩散算子特征值的收敛性，评估了我们实现方法的可靠性。本文给出的结果为处理更复杂的系统带来了令人鼓舞的可能性，在这些系统中，方程中需要额外的坐标相关项或多维处理，而传统方法往往变得不可行。
