NucleoNet: A Nuclear-Aware Determinant Ansatz for Multi-Geometry Neural Variational Monte Carlo
Neural-network variational Monte Carlo provides an accurate route to solving the electronic Schr\"odinger equation, but many neural wavefunctions are optimized for a single nuclear geometry, requiring separate calculations to map out a potential energy surface. We introduce NucleoNet, a nuclear-aware determinant ansatz...
Qiao-You Gao, Yang Huang, En-Ze Hou et al.
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