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arXiv:physics/0306170 · Journal of Physics A Mathematical and General

Optimal control of quantum dynamics: a new theoretical approach

Bijoy K. Dey

Published Jun 15, 2000• 6 citations
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Abstract

A new theoretical formalism for optimal quantum control has been presented. The approach stems from the consideration of describing the time-dependent quantum systems in terms of the real physical observables, namely the probability density ρ( x , t ) and the quantum current j ( x , t ) which is well documented in Bohm's hydrodynamical formulation of quantum mechanics. The approach has been applied for manipulating the vibrational motion of HBr in its ground electronic state under an external electric field.

DOI
10.1088/0305-4470/33/25/306

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A new theoretical formalism for optimal quantum control has been presented. The approach stems from the consideration of describing the time-dependent quantum systems in terms of the real physical observables, namely the probability density ρ( x , t ) and the quantum current j ( x , t ) which is well documented in Bohm's hydrodynamical formulation of quantum mechanics. The approach has been applied for manipulating the vibrational motion of HBr in its ground electronic state under an external electric field.
A new formalism for the optimal control of quantum mechanical physical observables is presented. This approach is based on an analogous classical control technique reported previously. [1] Quantum Lagrange multiplier functions are used to preserve a chosen subset of the observable dynamics of interest. As a result, a corresponding small set of Lagrange multipliers needs to be calculated and they are only a function of time. This is a considerable simplification over traditional quantum optimal control theory. [2] The success of the new approach is based on taking advantage of the multiplicity of solutions to virtually any problem of quantum control to meet a physical objective. A family of such simplified formulations is introduced and numerically tested. Results are presented for these algorithms and compared with previous reported work on a model problem for selective unimolecular reaction induced by an external optical electric field. 1 I.
A quantum fluid-dynamic (QFD) control formulation is presented for optimally manipulating atomic and molecular systems. In QFD the control quantum system is expressed in terms of the probability density \ensuremath{\rho} and the quantum current j. This choice of variables is motivated by the generally expected slowly varying spatial-temporal dependence of the fluid-dynamical variables. The QFD approach is illustrated for manipulation of the ground electronic state dynamics of HCl induced by an external electric field.
Quantum control refers to our ability to manipulate quantum systems. This tutorial-style chapter focuses on the use of classical electromagnetic fields to steer the system dynamics. In this approach, the quantum nature of the control stems solely from the underlying dynamics, through the exploitation of destructive and constructive interference to reach the control target. We first discuss two basic control principles -- coherent control which uses manipulation in frequency or time to design these interferences, and adiabatic following where access to the control target is enabled by tracking the time-dependent ground state. For complex control targets and system dynamics that exceed the scope of these basic principles, optimal control theory provides a powerful suite of tools to design the necessary protocols. A key consideration for the successful application of optimal control theory is a proper choice of the optimization functional. All concepts are illustrated using recent work from my research group, with a focus on controlling atoms and superconducting qubits. The chapter concludes with an outlook on integrating coherent control with engineered dissipation and a discussion of open questions in the field.
Quantum optimal control theory is a powerful tool for engineering quantum systems subject to external fields such as the ones created by intense lasers. The formulation relies on a suitable definition for a target functional, that translates the intended physical objective to a mathematical form. We propose the use of target functionals defined in terms of the one-particle density and its current. A strong motivation for this is the possibility of using time-dependent density-functional theory for the description of the system dynamics. We exemplify this idea by defining an objective functional that on one hand attempts a large overlap with a target density and on the other hand minimizes the current. The latter requirement leads to optimized states with increased stability, which we prove with a few examples of one- and two-dimensional one-electron systems.
Quantum optimal control theory is applied to control electric dipole transitions in a real multilevel system. The specific system studied in the present work is comprised of a multitude of hyperfine levels in the electronic ground state of the OH molecule. Spectroscopic constants are used to obtain accurate energy eigenstates and electric dipole matrix elements. The goal is to calculate the optimal time-dependent electric field that yields a maximum of the transition probability for a specified initial and final state. A further important objective was to study the detailed quantum processes that take place during such a prescribed transition in a multilevel system. Two specific transitions are studied in detail. The computed optimal electric fields as well as the paths taken through the multitude of levels reveal quite interesting quantum phenomena.
A new control method that considers all sources of uncertainty and noises that might affect the time evolutions of quantum physical systems is introduced. Under the proposed approach, the dynamics of quantum systems are characterised by probability density functions (pdfs), thus providing a complete description of their time evolution. Using this probabilistic description, the proposed method suggests the minimisation of the distance between the actual pdf that describes the joint distribution of the time evolution of the quantum system and the external electric field, and the desired pdf that describes the system target outcome. We start by providing the control solution for quantum systems that are characterised by arbitrary pdfs. The obtained solution is then applied to quantum physical systems characterised by Gaussian pdfs and the form of the optimised controller is elaborated. Finally, the proposed approach is demonstrated on a real molecular system and two spin systems showing the effectiveness and simplicity of the method.