title: Singular value decomposition of the radial distribution function for hard sphere and square well potentials.
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.
authors.affiliation: National Institutes of Health, National Institute of Diabetes and Digestive and Kidney Diseases, Bethesda, Maryland, United States of America.
authors.forename: Travis
authors.initials: T
authors.lastname: Hoppe
mesh_terms: D008962:Models, Theoretical; D056004:Molecular Dynamics Simulation; D013696:Temperature; D014867:Water / Q000737:chemistry
chemical_list: D014867:Water