Tests of Artificial Neural Network-Based Diabatization Approaches on Simple 1D Models.

J Chem Theory Comput · 2025 · PMC12355706 · PMID 40662626

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may be significantno p-value reported

The effect of nonlinearities in these terms on the accuracy of trained ANNs has not been investigated systematically (though preliminary calculations we performed seem to indicate that it may be significant).

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