Newton-X selects the initial state L based on the following algorithm to avoid this problem. First, it searches for excited states within an excitation-energy window    above the ground state. Multiple states may appear in this excitation window for each initial geometry but with different excitation probabilities. For each initial geometry i R , all adiabatic states up to fs N are checked. A trajectory should start in state L if the two following conditions are satisfied: (29) and ( )