Abstract
We present numerical simulations demonstrating efficient control of electron localization dynamics in small molecular systems by a train of half-cycle pulses using the H2+ molecule as a prototypical model system. Simulations are performed using a direct numerical integration of the Schrödinger equation on a grid for a two-degree of freedom system (one electronic, one nuclear coordinate) as well as for an expansion in terms of Born–Oppenheimer basis states. By varying the parameters of the driving field, we systematically explore the underlying control mechanism of this periodically approximately impulsively driven molecular system and demonstrate the robustness of the proposed control scheme.
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