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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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Detalles Bibliográficos
Autor principal: Hoppe, Travis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2013
Materias:
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
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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.
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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
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