Hamiltonian problem including the scalar relativistic effect, the last CV-type is excluded in the evaluations of the SOC Hamiltonian matrix elements. This is because it breaks the time-reversal symmetry of SOC. Since the CV-types make minor contributions to the ground and low-lying excited states, they are not anticipated to be of importance for SOC values in those states. Without CV-types, the non-SOC MRSF wavefunction of the I-th electronic state of the singlet (Ψ 00 I ) and the triplet with M S = 0 (Ψ 10 I ) can be represented as