Issue 26, 2015

Discrete variable representation of the Smoluchowski equation using a sinc basis set

Abstract

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.

Graphical abstract: Discrete variable representation of the Smoluchowski equation using a sinc basis set

Article information

Article type
Paper
Submitted
08 Apr 2015
Accepted
27 May 2015
First published
27 May 2015

Phys. Chem. Chem. Phys., 2015,17, 17362-17374

Author version available

Discrete variable representation of the Smoluchowski equation using a sinc basis set

A. Piserchia and V. Barone, Phys. Chem. Chem. Phys., 2015, 17, 17362 DOI: 10.1039/C5CP02060C

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