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The Journal of Chemical Physics

Time-optimal control of spin 1/2 particles in the presence of radiation damping and relaxation

Y. Zhang, M. Lapert, Dominique Sugny, M. Braun, Steffen J. Glaser

Published Feb 1, 2011• 54 citations
Publisher

Abstract

We consider the time-optimal control of an ensemble of uncoupled spin 1/2 particles in the presence of relaxation and radiation damping effects, whose dynamics is governed by nonlinear equations generalizing the standard linear Bloch equations. For a single spin, the optimal control strategy can be fully characterized analytically. However, in order to take into account the inhomogeneity of the static magnetic field, an ensemble of isochromats at different frequencies must be considered. For this case, numerically optimized pulse sequences are computed and the dynamics under the corresponding optimal field is experimentally demonstrated using nuclear magnetic resonance techniques.

DOI
10.1063/1.3543796

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We consider the time-optimal control of an ensemble of uncoupled spin 1/2 particles in the presence of relaxation and radiation damping effects, whose dynamics is governed by nonlinear equations generalizing the standard linear Bloch equations. For a single spin, the optimal control strategy can be fully characterized analytically. However, in order to take into account the inhomogeneity of the static magnetic field, an ensemble of isochromats at different frequencies must be considered. For this case, numerically optimized pulse sequences are computed and the dynamics under the corresponding optimal field is experimentally demonstrated using nuclear magnetic resonance techniques.
We consider the time-optimal control of a spin-1/2 particle whose dynamics is governed by the Bloch equations with both longitudinal and transverse relaxation terms. We solve this control problem by using geometric optimal control techniques. We show the crucial role of singular extremals in the time-optimal synthesis. This role can mainly be attributed to the presence of dissipation. We also analyse the robustness of the optimal control sequence when both the maximum amplitude of the control field and the dissipative parameters are varied. Finally, we present an experimental implementation of the different solutions using techniques of nuclear magnetic resonance.
We analyze the simultaneous time-optimal control of two-spin systems. The two noncoupled spins, which differ in the value of their chemical offsets, are controlled by the same magnetic fields. Using an appropriate rotating frame, we restrict the study to the case of opposite shifts. We then show that the optimal solution of the inversion problem in a rotating frame is composed of a pulse sequence of maximum intensity and is similar to the optimal solution for inverting only one spin by using a nonresonant control field in the laboratory frame. An example is implemented experimentally using nuclear magnetic resonance techniques.
In this paper, we study the design of pulse sequences for nuclear magnetic resonance spectroscopy as a problem of time optimal control of the unitary propagator. Radio-frequency pulses are used in coherent spectroscopy to implement a unitary transfer between states. Pulse sequences that accomplish a desired transfer should be as short as possible in order to minimize the effects of relaxation and to optimize the sensitivity of the experiments. Here, we give an analytical characterization of such time optimal pulse sequences applicable to coherence transfer experiments in multiple-spin systems. We have adopted a general mathematical formulation, and present many of our results in this setting, mindful of the fact that new structures in optimal pulse design are constantly arising. From a general control theory perspective, the problems we want to study have the following character. Suppose we are given a controllable right invariant system on a compact Lie group. What is the minimum time required to steer the system from some initial point to a specified final point? In nuclear magnetic resonance (NMR) spectroscopy and quantum computing, this translates to, what is the minimum time required to produce a unitary propagator? We also give an analytical characterization of maximum achievable transfer in a given time for the two-spin system.
Experiments in coherent spectroscopy correspond to control of quantum mechanical ensemble guiding them from initial to final target states. The control inputs (pulse sequences) that accomplish these transformations should be designed to minimize the effects of relaxation and to optimize the sensitivity of the experiments. For example in nuclear magnetic resonance (NMR) spectroscopy, a question of fundamental importance is what is the maximum efficiency of coherence or polarization transfer between two spins in the presence of relaxation. Furthermore what is the optimal pulse sequence which achieves this efficiency? This manuscript extends our previous work in the above problems. Here, we take into account both the longitudinal and the transverse relaxation mechanisms, thus generalizing our previous results, where the former had been neglected.
In this paper, we develop methods for optimal manipulation of coupled spin dynamics in the presence of relaxation. These methods are used to compute analytical bounds for the optimal efficiency of coherence transfer between coupled nuclear spins in presence of longitudinal and transverse relaxation. We derive relaxation optimized pulse sequences which achieve these bounds and maximize the sensitivity of the experiments in spectroscopic applications. This paper is a continuation of our previous work. Here, we take into account both the longitudinal and the transverse relaxation mechanisms, thus generalizing our previous results, where the former had been neglected.