Direct Optimal Control Approach to Laser-Driven Quantum Particle Dynamics

• Main Authors: A. R. Ramos Ramos, O. Kühn
• Format: Article
• Language: English
• Published: Frontiers Media S.A. 2021-04-01
• Series: Frontiers in Physics
• Subjects: optimal control; quantum dynamics; semiclassical dynamics; Gaussian wavepackets; proton transfer
• Online Access: https://www.frontiersin.org/articles/10.3389/fphy.2021.615168/full

Optimal control theory is usually formulated as an indirect method requiring the solution of a two-point boundary value problem. Practically, the solution is obtained by iterative forward and backward propagation of quantum wavepackets. Here, we propose direct optimal control as a robust and flexible alternative. It is based on a discretization of the dynamical equations resulting in a nonlinear optimization problem. The method is illustrated for the case of laser-driven wavepacket dynamics in a bistable potential. The wavepacket is parameterized in terms of a single Gaussian function and field optimization is performed for a wide range of particle masses and lengths of the control interval. Using the optimized field in a full quantum propagation still yields reasonable control yields for most of the considered cases. Analysis of the deviations leads to conditions which have to be fulfilled to make the semiclassical single Gaussian approximation meaningful for field optimization.