VMC local energy and gradient estimators are generically heavy-tailed for common ansatze due to nodal sets, but a new clipped variant converges in the low-moment regime.
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A reorganized Hartree-Fock framework imposes tunable orbital locality by pairing local degrees of freedom with local solution conditions, maintaining efficient SCF optimization and competitive reaction-energy accuracy.
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Is Variational Monte Carlo Robust? Sharp Moment Thresholds and Heavy-tailed Stochastic Optimization
VMC local energy and gradient estimators are generically heavy-tailed for common ansatze due to nodal sets, but a new clipped variant converges in the low-moment regime.
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Approximating Hartree-Fock theory via an efficiently local reformulation
A reorganized Hartree-Fock framework imposes tunable orbital locality by pairing local degrees of freedom with local solution conditions, maintaining efficient SCF optimization and competitive reaction-energy accuracy.