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Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials
We compute the singular value decomposition of the radial distribution function [Image: see text] for hard sphere, and square well solutions. We find that [Image: see text] decomposes into a small set of basis vectors allowing for an extremely accurate representation at all interpolated densities an...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Public Library of Science
2013
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3797047/ https://www.ncbi.nlm.nih.gov/pubmed/24143174 http://dx.doi.org/10.1371/journal.pone.0075792 |
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author | Hoppe, Travis |
author_facet | Hoppe, Travis |
author_sort | Hoppe, Travis |
collection | PubMed |
description | We compute the singular value decomposition of the radial distribution function [Image: see text] for hard sphere, and square well solutions. We find that [Image: see text] decomposes into a small set of basis vectors allowing for an extremely accurate representation at all interpolated densities and potential strengths. In addition, we find that the coefficient vectors describing the magnitude of each basis vector are well described by a low-order polynomial. We provide a program to calculate [Image: see text] in this compact representation for the investigated parameter range. |
format | Online Article Text |
id | pubmed-3797047 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
spelling | pubmed-37970472013-10-18 Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials Hoppe, Travis PLoS One Research Article We compute the singular value decomposition of the radial distribution function [Image: see text] for hard sphere, and square well solutions. We find that [Image: see text] decomposes into a small set of basis vectors allowing for an extremely accurate representation at all interpolated densities and potential strengths. In addition, we find that the coefficient vectors describing the magnitude of each basis vector are well described by a low-order polynomial. We provide a program to calculate [Image: see text] in this compact representation for the investigated parameter range. Public Library of Science 2013-10-15 /pmc/articles/PMC3797047/ /pubmed/24143174 http://dx.doi.org/10.1371/journal.pone.0075792 Text en https://creativecommons.org/publicdomain/zero/1.0/ This is an open-access article distributed under the terms of the Creative Commons Public Domain declaration, which stipulates that, once placed in the public domain, this work may be freely reproduced, distributed, transmitted, modified, built upon, or otherwise used by anyone for any lawful purpose. |
spellingShingle | Research Article Hoppe, Travis Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials |
title | Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials |
title_full | Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials |
title_fullStr | Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials |
title_full_unstemmed | Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials |
title_short | Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials |
title_sort | singular value decomposition of the radial distribution function for hard sphere and square well potentials |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3797047/ https://www.ncbi.nlm.nih.gov/pubmed/24143174 http://dx.doi.org/10.1371/journal.pone.0075792 |
work_keys_str_mv | AT hoppetravis singularvaluedecompositionoftheradialdistributionfunctionforhardsphereandsquarewellpotentials |