Ab initio molecular dynamics (AIMD) simulation with multi-configurational wave function theories is a powerful tool to demonstrate chemical reaction dynamics, particularly for photochemical reactions with non-radiative transitions. However, the highly computational costs of ab initio calculations are one of the bottlenecks of AIMD simulations. Hiromi Nakai et al. on page 1473 (DOI: 10.1002/jcc.23617), extend the Lagrange interpolation of molecular orbital (LIMO) technique, which provides an efficient MO initial guess by MO propagations along the time axis, into multi-configurational self-consistent field (MCSCF) theories. The extended LIMO method accelerated SCF convergences in AIMD simulations, involving chemical reactions in the excited state.