MRSF: differences between Q-Chem and OpenQP

It was brought to our attention that our implementation of MRSF-TDDFT and regular SF-TDDFT yield results that differ from those of OpenQP for H2. We traced the difference to how the beta Fock matrix is computed for the case when there are no beta electrons. In Q-Chem we treat the derivative of the exchange-correlation functional for zero density as zero. Following a different line of reasoning, the OpenQP team arrived at the nonzero contributions to the Fock matrix from zero density. We believe our approach is more rigorous, however, we acknowledge that the alternative reasoning also has logic. Hence, the disagreement for this particular case between the two packages should be treated as a legitimate difference in formalisms. We emphasize that for all other cases the agreement is very good (differences are less than 0.001 eV).