Iterative Solution of the Ornstein-Zernike Equation with Various Closures Using Vector Extrapolation
Abstract
The solution of the Ornstein-Zernike equation with various closure approximations is studied. This problem is rewritten as an integral equation that can be solved iteratively on a grid. The convergence of the fixed point iterations is relatively slow. We consider transformations of the sequence of solution vectors using non-linear sequence transformations, so-called vector extrapolation processes. An example is the vector J transformation. The transformed vector sequences turn out to converge considerably faster than the original sequences.
Keywords
Cite
@article{arxiv.chem-ph/9509001,
title = {Iterative Solution of the Ornstein-Zernike Equation with Various Closures Using Vector Extrapolation},
author = {Herbert H. H. Homeier and Sebastian Rast and Hartmut Krienke},
journal= {arXiv preprint arXiv:chem-ph/9509001},
year = {2009}
}
Comments
21 pages, postscript, three figures included in the postscript. Comput. Phys. Commun., in press. Also available via http://rchs1.uni-regensburg.de/preprint.html , ftp://rchs1.uni-regensburg.de/pub/preprint , gopher://rchs1.uni-regensburg.de:70/11./pub/preprint