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arXiv:nlin/0701056 · Physical Review E

Analytic approach for controlling quantum states in complex systems

Toshiya Takami, Hiroshi Fujisaki

Published Mar 27, 2007• 5 citations
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Abstract

We examine random matrix systems driven by an external field in view of optimal control theory (OCT). By numerically solving OCT equations, we can show that there exists a smooth transition between two states called "moving bases" which are dynamically related to initial and final states. In our previous work [J. Phys. Soc. Jpn. 73, 3215 (2004); Adv. Chem. Phys. 130A, 435 (2005)], they were assumed to be orthogonal, but in this paper, we introduce orthogonal moving bases. We can construct a Rabi-oscillation-like representation of a wave packet using such moving bases, and derive an analytic optimal field as a solution of the OCT equations. We also numerically show that the newly obtained optimal field outperforms the previous one.

DOI
10.1103/physreve.75.036219

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We examine random matrix systems driven by an external field in view of optimal control theory (OCT). By numerically solving OCT equations, we can show that there exists a smooth transition between two states called "moving bases" which are dynamically related to initial and final states. In our previous work [J. Phys. Soc. Jpn. 73, 3215 (2004); Adv. Chem. Phys. 130A, 435 (2005)], they were assumed to be orthogonal, but in this paper, we introduce orthogonal moving bases. We can construct a Rabi-oscillation-like representation of a wave packet using such moving bases, and derive an analytic optimal field as a solution of the OCT equations. We also numerically show that the newly obtained optimal field outperforms the previous one.
We propose a coarse-grained picture to control ``complex'' quantum dynamics, i.e., multi-level-multi-level transition with a random interaction. Assuming that optimally controlled dynamics can be described as a Rabi-like oscillation between an initial and final state, we derive an analytic optimal field as a solution to optimal control theory. For random matrix systems, we numerically confirm that the analytic optimal field steers an initial state to a target state which both contains many eigenstates.
We discuss recent advances in optimal control theory (OCT) related to the investigation of the impact of control field noise on controllability of quantum dynamics. Two numerical methods, the gradient method and the iteration method, are paid particular attention. We analyze the problem of designing noisy control fields to maximize the vibrational transition probability in diatomic quantum systems, e.g. the HF and OH molecules. White noise is used as an additive random variable in the amplitude of the control field. It is demonstrated that the convergence is faster in the presence of noise and population transfer is increased by 0.04% for small values of noise compared to the field amplitude.
The optimal control of the path to a specified final state of a quantum-mechanical system is investigated. The problem is formulated as a minimization problem over appropriate function spaces, and the well-posedness of this problem is is established by proving the existence of an optimal solution. A Lagrange-multiplier technique is used to reduce the problem to an equivalent optimization problem and to derive necessary conditions for a minimum. These necessary conditions form the basis for a gradient iterative procedure to search for a minimum. A numerical scheme based on finite differences is used to reduce the infinite-dimensional minimization problem to an approximate finite-dimensional problem. Numerical examples are provided for final-state control of a diatomic molecule represented by a Morse potential. Within the context of this optimal control formulation, numerical results are given for the optimal pulsing strategy to demonstrate the feasibility of wave-packet control and finally to achieve a specified dissociative wave packet at a given time. The optimal external optical fields generally have a high degree of structure, including an early time period of wave-packet phase adjustment followed by a period of extensive energy deposition to achieve the imposed objective. Constraints on the form of the molecular dipole (e.g., a linear dipole) are shown to limit the accessibility (i.e., controllability) of certain types of molecular wave-packet objectives. The nontrivial structure of the optimal pulse strategies emphasizes the ultimate usefulness of an optimal-control approach to the steering of quantum systems to desired objectives.
A Markovian master equation describing the evolution of open quantum systems in the presence of a time-dependent external field is derived within the Bloch-Redfield formalism. It leads to a system-bath interaction which depends on the control field. Optimal control theory is used to select control fields which allow accelerated or decelerated system relaxation, or suppression of relaxation (dissipation) altogether, depending on the dynamics we impose on the quantum system. The control-dissipation correlation and the nonperturbative treatment of the control field are essential for reaching this goal. The optimal control problem is formulated within Pontryagin's minimum principle and the resulting optimal differential system is solved numerically. As an application, we study the dynamics of a spin-boson model in the strong coupling regime under the influence of an external control field. We show how trapping the system in unstable quantum states and transfer of population can be achieved by optimized control of the dissipative quantum system. We also used optimal control theory to find the driving field that generates the quantum ZZZ gate. In several cases studied, we find that the selected optimal field which reduces the purity loss significantly is a multicomponent low-frequency field including higher harmonics, all of which lie below the phonon cutoff frequency. Finally, in the undriven case we present an analytic result for the Lamb shift at zero temperature.
In the context of molecular quantum computation the optimal control theory (OCT) is used to obtain shaped laser pulses for high-fidelity control of vibrational qubits. Optimization is done in time domain and the OCT algorithm varies values of electric field in each time step independently, tuning hundreds of thousands of parameters to find one optimal solution. Such flexibility is not available in experiments, where pulse shaping is done in frequency domain and the number of "tuning knobs" is much smaller. The question of possible experimental interpretations of theoretically found OCT solutions arises. In this work we analyze very accurate optimal pulse that we obtained for implementing quantum gate CNOT for the two-qubit system encoded into the exited vibrational states of thiophosgene molecule. Next, we try to alter this pulse by reducing the number of available frequency channels and intentionally introducing systematic and random errors (in frequency domain, by modifying the values of amplitudes and phases of different frequency components). We conclude that a very limited number of frequency components (only 32 in the model of thiophosgene) are really necessary for accurate control of the vibrational two-qubit system, and such pulses can be readily constructed using OCT. If the amplitude and phase errors of different frequency components do not exceed ±3% of the optimal values, one can still achieve accurate transformations of the vibrational two-qubit system, with gate fidelity of CNOT exceeding 0.99.
We look at time evolution of a physical system from the point of view of dynamical control theory. Normally we solve motion equation with a given external potential and we obtain time evolution. Standard examples are the trajectories in classical mechanics or the wave functions in Quantum Mechanics. In the control theory, we have the configurational variables of a physical system, we choose a velocity field and with a suited strategy we force the physical system to have a well defined evolution. The evolution of the system is the 'premium' that the controller receives if he has adopted the right strategy. The strategy is given by well suited laboratory devices. The control mechanisms are in many cases non linear; it is necessary, namely, a feedback mechanism to retain in time the selected evolution. Our aim is to introduce a scheme to obtain Quantum wave packets by control theory. The program is to choose the characteristics of a packet, that is, the equation of evolution for its centre and a controlled dispersion, and to give a building scheme from some initial state (for example a solution of stationary Schroedinger equation). It seems natural in this view to use stochastic approach to Quantum Mechanics, that is, Stochastic Mechanics [S.M.]. It is a quantization scheme different from ordinary ones only formally. This approach introduces in quantum theory the whole mathematical apparatus of stochastic control theory. Stochastic Mechanics, in our view, is more intuitive when we want to study all the classical-like problems. We apply our scheme to build two classes of quantum packets both derived generalizing some properties of coherent states.