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Quantum Optimal Control Theory (0707.1883v1)

Published 12 Jul 2007 in quant-ph

Abstract: The control of quantum dynamics via specially tailored laser pulses is a long-standing goal in physics and chemistry. Partly, this dream has come true, as sophisticated pulse shaping experiments allow to coherently control product ratios of chemical reactions. The theoretical design of the laser pulse to transfer an initial state to a given final state can be achieved with the help of quantum optimal control theory (QOCT). This tutorial provides an introduction to QOCT. It shows how the control equations defining such an optimal pulse follow from the variation of a properly defined functional. We explain the most successful schemes to solve these control equations and show how to incorporate additional constraints in the pulse design. The algorithms are then applied to simple quantum systems and the obtained pulses are analyzed. Besides the traditional final-time control methods, the tutorial also presents an algorithm and an example to handle time-dependent control targets.

Citations (324)
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Summary

  • The paper introduces a functional-based approach to derive control equations for designing precise laser pulses in quantum systems.
  • It employs iterative algorithms with monotonic convergence and flexible constraints to address both two-level atoms and complex systems.
  • The methodology enhances experimental control in chemical and photonic processes, paving the way for advanced quantum technology applications.

An Overview of Quantum Optimal Control Theory

Quantum Optimal Control Theory (QOCT) is a theoretical framework aimed at designing laser pulses to manipulate quantum dynamics effectively. The goal of this rigorous theory is to drive quantum systems from their initial states to desired final states with precision, by employing optimal laser pulses shaped through intricate control equations derived from variation principles.

The essence of QOCT lies in constructing a suitable functional whose optimization yields the control equations necessary for pulse design. This functional, typically comprised of terms representing control objectives and pulse constraints, undergoes variation to facilitate solving the quantum dynamics, which fundamentally follow the time-dependent Schrödinger equation (TDSE). The manipulation of these dynamics revolves around maximizing or minimizing the expectation of a relevant operator, representing the control target, subject to constraints like minimizing pulse energy.

Critically, the strength of QOCT is showcased in its flexibility to incorporate various constraints, allowing for tailored solutions across a range of quantum systems, whether simple two-level atoms or more complex systems like asymmetric double wells. The theory's adaptability extends to handling time-independent control targets and also enabling the achievement of time-dependent objectives—such as modulating occupation numbers in time—illustrating its broad applicability.

The algorithms presented for solving these control equations range from standard iterative schemes—characterized by their monotonic convergence and efficiency—to those designed with additional constraints in mind, such as predefined fluence or spectral characteristics. These algorithms not only aim for optimality in terms of target objectives but also account for practical constraints pertinent to laser pulse generation and application.

The practical implications of QOCT extend to its potential applications in experimental setups, particularly in the field of chemical and physical processes. For example, QOCT has demonstrated its prowess in maximizing the yield of desired reaction products via adaptive pulse shaping techniques in closed-loop learning experiments.

As QOCT evolves, one can anticipate significant advancements in the practical realization of its theoretical predictions, potentially revolutionizing fields like quantum chemistry and photonics. Moreover, future developments may expand QOCT's applicability to multi-electron systems through integration with time-dependent density functional theory (TDDFT), signifying a promising horizon of theoretical and applied quantum control technologies.

Quantum Optimal Control Theory exemplifies the fusion of sophisticated mathematical constructs with practical applications in quantum systems manipulation, underscoring a crucial component in the advancement of quantum technologies and methodologies.

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