Exponential convergence of the local diabatic representation for nonadiabatic eigenvalue problems

Key Points

• The central aim is to explore the convergence of the local diabatic representation in modeling nonadiabatic eigenvalue problems.
• Utilized discrete variable local diabatic representation for simulating conical intersection dynamics.
• Analyzed convergence relative to the number of basis functions used in the representation.
• Demonstrated that the local diabatic representation converges exponentially with respect to the basis functions.
• Provided evidence of divergence-free simulation outcomes in conical intersection scenarios.