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Foundation Neural-Network Quantum States for Molecular Potential Energy Surfaces in Second Quantization

Fu, Lizhong et al.
arXiv (All) · Papers
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chemical-physicsquantum-physics
Second-quantized neural-network quantum states have achieved accurate molecular energies, but extending them across molecular geometries requires a shared representation of the geometry-dependent wavefunction coefficients. We introduce geometry-conditioned foundation neural-network quantum states fo
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