Metadensity functionals are regularized by matching pair structures from metadirect differentiation and test-particle routes to enable first-principles access to bulk correlations in classical fluids.
Rosenfeld, Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-functional theory of freezing, Phys
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Metadensity functional learning for classical fluids: Regularizing with pair correlations
Metadensity functionals are regularized by matching pair structures from metadirect differentiation and test-particle routes to enable first-principles access to bulk correlations in classical fluids.