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.
Schommers, A pair potential for liquid rubidium from the pair correlation function, Physics Letters A43, 157 (1973)
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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.