supported by the National Natural Science Foundation of China(No.22288201);the Inno-vation Program for Quantum Science and Technology(No.2021ZD0303305);the Dalian Innovation Sup-port Program(No.2021RD05).
A new two-state diabatic potential energy matrix(DPEM)for H3 has been constructed,based on the fun-damental invariant neural network(FI-NN)diabatization method pro-posed in our previous work[Phys.Chem.Chem.Phys.21,150...