Neural Network Fitted Potential Energy Surface for Ozone
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MRCI-F12/VTZ-F12 potential energy surface Basic NN fit - (very poor) PES-Learn hyperparameter optimised neural network fit
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2021-06-05

MRCI-F12/VTZ-F12 potential energy surface Basic NN fit - (very poor) PES-Learn hyperparameter optimised neural network fit