A non-iterative method infers effective pair potentials from equilibrium configurations at arbitrary state points by enforcing consistency between distance-derived and force-derived pair correlation functions.
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Molecular dynamics on bounded spherical one-component plasmas yields extrapolated thermodynamic-limit energies to 0.1% precision and an ionic equation of state that differs from periodic-boundary Monte Carlo results at low coupling.
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Direct Boltzmann inversion method from particle configurations at arbitrary state points
A non-iterative method infers effective pair potentials from equilibrium configurations at arbitrary state points by enforcing consistency between distance-derived and force-derived pair correlation functions.
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Approaching the thermodynamic limit of a bounded one-component plasma
Molecular dynamics on bounded spherical one-component plasmas yields extrapolated thermodynamic-limit energies to 0.1% precision and an ionic equation of state that differs from periodic-boundary Monte Carlo results at low coupling.