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Physical Review A

Kinematical bounds on optimization of observables for quantum systems

Marvin D. Girardeau, S. G. Schirmer, J. V. Leahy, Richard M. Koch

Published Oct 1, 1998• 46 citations
Publisher

Abstract

Upper and lower kinematical bounds for the expectation values of arbitrary observables of driven quantum systems in mixed states are derived, and criteria for their attainability established. The results are applied to the problem of maximizing the energy of a laser-driven four-level Morse oscillator model for HF, as well as a four-level harmonic-oscillator model.

DOI
10.1103/physreva.58.2684

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Upper and lower kinematical bounds for the expectation values of arbitrary observables of driven quantum systems in mixed states are derived, and criteria for their attainability established. The results are applied to the problem of maximizing the energy of a laser-driven four-level Morse oscillator model for HF, as well as a four-level harmonic-oscillator model.
Upper and lower bounds are established for time-dependent ensemble averages of observables of driven quantum systems in mixed states. They limit controllability of observables independently of the control fields. Narrower bounds are established when the observable is a projector onto a pure quantum state or subspace. They are optimal in the sense of being kinematically achievable. Calculations on nonlinear optimal control of a four-level model indicate that these kinematical bounds are dynamically achievable asymptotically with increasing control pulse strength.
Girardeau et al. (1998) derived kinematical bounds on the optimization of observables for mixed-state quantum systems and showed that they are dynamically realizable if the system is completely controllable. In this paper the problem of finding dynamically realizable bounds for systems that are not completely controllable is addressed. We derive such bounds for systems whose dynamics can be decomposed into subspace dynamics. We also study systems that are not decomposable yet fail to be completely controllable. For these systems, the question of dynamical realizability of the kinematical bounds depends on the accessibility of the target states for which the expectation value of the observable assumes its kinematical maximum.
In this paper we investigate the limits of control for mixed-state quantum systems. The constraint of unitary evolution for nondissipative quantum systems imposes kinematical bounds on the optimization of arbitrary observables. We summarize our previous results on kinematical bounds and show that these bounds are dynamically realizable for completely controllable systems. Moreover, we establish improved bounds for certain partially controllable systems. Finally, the question of dynamical realizability of the bounds for arbitrary partially controllable systems is shown to depend on the accessible sets of the associated control system on the unitary group U(N)U(N)U(N) and the results of a few control computations are discussed briefly.
Generalizing a method used previously for three-body, four-body and very recently for five-body systems, we derive a lower bound for the ground state energy of an N-body Hamiltonian, with arbitrary N. Because the expression of the lower bound obtained in this way depends on a number of parameters, we obtain in fact a family of lower bounds, a lower bound for each set of values of these parameters. The best of these is of course obtained by maximizing over these parameters and is correspondingly named optimized lower bound. The set of values of the parameters corresponding to the optimized lower bound satisfy a number of relations, named universal dynamical constraints, which result from the application of a dynamical principle and are independent of the particular form of the potential. For N = 3, 4, 5, they can be worked out in the most general case. For N = 6 up, they can be worked out only for particular mass configurations. Furthermore, the optimized lower bound proves to be saturated in the harmonic oscillator case.
In quantum optimal control theory, kinematic bounds are the minimum and maximum values of the control objective achievable for any physically realizable system dynamics. For a given initial state of the system, these bounds depend on the nature and state of the controller. We consider a general situation where the controlled quantum system is coupled to both an external classical field (referred to as a classical controller) and an auxiliary quantum system (referred to as a quantum controller). In this general situation, the kinematic bound is between the classical kinematic bound (CKB), corresponding to the case where only the classical controller is available, and the quantum kinematic bound (QKB), corresponding to the ultimate physical limit of the objective's value. Specifically, when the control objective is the expectation value of a quantum observable (a Hermitian operator on the system's Hilbert space), the QKBs are the minimum and maximum eigenvalues of this operator. We present, both qualitatively and quantitatively, the necessary and sufficient conditions for surpassing the CKB and reaching the QKB, through the use of a quantum controller. The general conditions are illustrated by examples in which the system and controller are initially in thermal states. The obtained results provide a basis for the design of quantum controllers capable of maximizing the control yield and reaching the ultimate physical limit.
We begin by deriving explicit formulae for the energy levels of a system of N harmonic oscillators for two special mass configurations but for arbitrary N . Under the same conditions, we can perform analytically all the calculational procedure leading to an optimized lower bound for the ground state energy of an N -body system. The lower bound obtained in this way proves to be identical to the exact result. It is the first time, to our knowledge, that an explicit analytical proof of saturability has been worked out.