Accurate and Efficient Schemes for Mapping Out Two Isolated Seams of Conical Intersections with Neural Networks Solely Based on Adiabatic Energies: A Case Study of H⁺ + NO(X²Π) → H + NO⁺(X¹Σ⁺)

A new scheme in the neural network (NN) diabatization approach that solely utilizes the adiabatic energies for constructing the global diabatic potential energy matrices (PEMs) of the molecular systems with two isolated seams of conical intersections (CIs) is proposed. Taking a prototype charge transfer reaction H