A bounded-degree graph recurrent neural network, augmented with RBM-inspired correlators and a semistochastic energy estimator, reaches chemical accuracy for H50, an iron-sulfur cluster model, and a 3D H18 cluster.
Improved second-order Møller–Plesset perturbation theory by separate scal- ing of parallel-and antiparallel-spin pair correlation energies.J
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Hybrid tensor network and neural network quantum states for quantum chemistry
A bounded-degree graph recurrent neural network, augmented with RBM-inspired correlators and a semistochastic energy estimator, reaches chemical accuracy for H50, an iron-sulfur cluster model, and a 3D H18 cluster.