Key points are not available for this paper at this time.
Closed expressions for nonadiabatic coupling between the ground and an excited electronic state of a molecule are derived by representing the time-dependent density functional (TDDFT) equations in a form of classical dynamics for the Kohn-Sham (KS) single-electron density matrix. Applicability of Krylov-space-type fast algorithms to nonadiabatic TDDFT as well as the representivity of the time-dependent charge density of a driven system are discussed.
Chernyak et al. (Tue,) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: