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 g(r) for hard sphere, and square well solutions. We find that g(r) decomposes into a small set of basis vectors allowing for an extremely accurate representation at all interpolated densities and potential strengths. In...
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Public Library of Science (PLoS)
2013-01-01
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| Series: | PLoS ONE |
| Online Access: | http://europepmc.org/articles/PMC3797047?pdf=render |
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doaj-0effe8d318d643f792c1168e771e21e22020-11-25T02:32:24ZengPublic Library of Science (PLoS)PLoS ONE1932-62032013-01-01810e7579210.1371/journal.pone.0075792Singular value decomposition of the radial distribution function for hard sphere and square well potentials.Travis HoppeWe compute the singular value decomposition of the radial distribution function g(r) for hard sphere, and square well solutions. We find that g(r) 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 g(r) in this compact representation for the investigated parameter range.http://europepmc.org/articles/PMC3797047?pdf=render |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Travis Hoppe |
| spellingShingle |
Travis Hoppe Singular value decomposition of the radial distribution function for hard sphere and square well potentials. PLoS ONE |
| author_facet |
Travis Hoppe |
| author_sort |
Travis Hoppe |
| title |
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_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_sort |
singular value decomposition of the radial distribution function for hard sphere and square well potentials. |
| publisher |
Public Library of Science (PLoS) |
| series |
PLoS ONE |
| issn |
1932-6203 |
| publishDate |
2013-01-01 |
| description |
We compute the singular value decomposition of the radial distribution function g(r) for hard sphere, and square well solutions. We find that g(r) 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 g(r) in this compact representation for the investigated parameter range. |
| url |
http://europepmc.org/articles/PMC3797047?pdf=render |
| work_keys_str_mv |
AT travishoppe singularvaluedecompositionoftheradialdistributionfunctionforhardsphereandsquarewellpotentials |
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