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Smart Machine Learning for Solving the Full Electron-Nuclear Schrödinger Equation with a Quantum-Chemically Inspired Wavefunction Ansatz

Zhang, Yaolong et al.
arXiv (All) · Papers
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chemical-physicscomputational-physicsquantum-physics
Directly solving the full electron-nuclear Schrödinger equation remains one of the grand challenges in quantum mechanics. Here, we propose a quantum-chemically motivated orbital-based neural network wavefunction ansatz with explicit many-body electron-electron correlation terms, with parameters depe
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