Using local pseudo-Hamiltonians makes neural-network quantum Monte Carlo about ten times faster and enables simulations of iron-sulfur clusters with over 250 electrons.
Levine, Eric L
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Empowering Neural Network-based Quantum Monte Carlo with Local Pseudopotentials
Using local pseudo-Hamiltonians makes neural-network quantum Monte Carlo about ten times faster and enables simulations of iron-sulfur clusters with over 250 electrons.