Alternatively, one can avoid explicit use of derivative couplings by switch from the adiabatic to the diabatic representation of the potential energy surfaces. Although rigorous validation of a diabatic representation requires knowledge of vibronic coupling, it is often possible to construct such diabatic representations by referencing the continuity of physical quantities such as dipole moment, charge distribution or orbital occupations. However, such construction requires detailed knowledge of a molecular system and introduces significant arbitrariness. Diabatic representations constructed with different method can yield different results and the reliability of the result relies on the discretion of the researcher.