Singular value decomposition of the radial distribution function for hard sphere and square well potentials.
basic_science · Level V
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- Record sourced from PubMed, PMID 24143174.
- Also identified by DOI 10.1371/journal.pone.0075792 and PMC identifier PMC3656951.
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Abstract
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.