Thermal stability of water up to super-critical states: Application of the singular value decomposition and grund functions

Dio, Philipp J. di

doi:10.1016/j.molliq.2013.07.013

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Cited by 3 publications

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“…It is worth investigating whether other macroscopic potentials, such as Lennard-Jones, Yukawa, or even general anisotropic electrostatic models [25] can be decomposed in this manner. Very recently, the thermal stability of water and noble gases using a Lennard-Jones potential has been investigated [26], where similar results were obtained.…”

Section: Resultsmentioning

confidence: 58%

Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials

Hoppe

2013

PLoS ONE

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We compute the singular value decomposition of the radial distribution function for hard sphere, and square well solutions. We find that 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 in this compact representation for the investigated parameter range.

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Section: Resultsmentioning

confidence: 58%