Relativistic theory of electron-nucleus-radiation coupled dynamics in molecules: Wavepacket approach

Abstract

We propose a general theoretical scheme of relativistic electron-nucleus coupled dynamics of molecules in radiation fields, which is derived from quantum electrodynamical formalism. Aiming at applications to field-induced dynamics in ultrastrong laser pulses to the magnitude of 1016 W/cm2 or even larger, we derive a nonperturbative formulation of relativistic dynamics using the Tamm-Dancoff expansion scheme, which results in, within the lowest order expansion, a time-dependent Schrödinger equation with the Coulombic and retarded transversal photon-exchange interactions. We also discuss a wavepacket type nuclear dynamics adapted for such dynamics.