A separable force-matching protocol fits flexible four-site water models to PBE0 reference forces, eliminating linear parameters analytically and producing stable potentials whose radial distributions match benchmarks.
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Orthogonal reparametrization via QR decomposition renders NSS linear parameters uncorrelated with diagonal conditional Fisher information, providing a scalar identifiability diagnostic and closed-form finite-horizon orthogonal basis.
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Separable Force Matching of PBE0 Hybrid-Functional Reference Forces for Path-Integral Simulations of Liquid Water
A separable force-matching protocol fits flexible four-site water models to PBE0 reference forces, eliminating linear parameters analytically and producing stable potentials whose radial distributions match benchmarks.
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Orthogonal reparametrization of the Nelson-Siegel-Svensson interest rate curve model: conditioning, diagnostics, and identifiability
Orthogonal reparametrization via QR decomposition renders NSS linear parameters uncorrelated with diagonal conditional Fisher information, providing a scalar identifiability diagnostic and closed-form finite-horizon orthogonal basis.