Coherence-Controlled Nonadiabatic Dynamics via State-Space Decomposition: A Consistent Way To Incorporate Ehrenfest and Born-Oppenheimer-Like Treatments of Nuclear Motion.

This work's proposed coherence-controlled approach is a generalization of the recently developed symmetrical quasiclassical approach and the augmented image (AI) version of the multistate trajectory approach that has great potential for implementation in nonadiabatic molecular dynamics simulations for realistic complex systems, such as materials and biological molecules.