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Physical Review A

Controllability of molecular systems

Viswanath Ramakrishna, Murti V. Salapaka, M. Dahleh, HERSCHEL A. RABITZ, Anthony P. Peirce

Published Feb 1, 1995• 367 citations
Publisher

Abstract

In this paper we analyze the controllability of quantum systems arising in molecular dynamics. We model these systems as systems with finite numbers of levels, and examine their controllability. To do this we pass to their unitary generators and use results on the controllability of invariant systems on Lie groups. Examples of molecular systems, modeled as finite-dimensional control systems, are provided. A simple algorithm to detect the controllability of a molecular system is provided. Finally, we apply this algorithm to a five-level system.

DOI
10.1103/physreva.51.960

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In this paper we analyze the controllability of quantum systems arising in molecular dynamics. We model these systems as systems with finite numbers of levels, and examine their controllability. To do this we pass to their unitary generators and use results on the controllability of invariant systems on Lie groups. Examples of molecular systems, modeled as finite-dimensional control systems, are provided. A simple algorithm to detect the controllability of a molecular system is provided. Finally, we apply this algorithm to a five-level system.
Instances of finite-dimensional models, which are not the usual models of invariant systems evolving on the unitary groups, arising in problems of control and identification of quantum mechanical systems are given. Examples include problems quadratic in the creation and annihilation operators, problems where the control objective is to shape the Wigner distribution function, instances of problems with decoherence which can be formulated as invariant systems on non-unitary groups, control systems for the evolution of expectation values etc.
Quantum phenomena of interest in connection with applications to computation and communication often involve generating specific transfers between eigenstates, and their linear superpositions. For some quantum systems, such as spin systems, the quantum evolution equation (the Schrödinger equation) is finite-dimensional and old results on controllability of systems defined on on Lie groups and quotient spaces provide most of what is needed insofar as controllability of non-dissipative systems is concerned. However, in an infinite-dimensional setting, controlling the evolution of quantum systems often presents difficulties, both conceptual and technical. In this paper we present a systematic approach to a class of such problems for which it is possible to avoid some of the technical issues. In particular, we analyze controllability for infinite-dimensional bilinear systems under assumptions that make controllability possible using trajectories lying in a nested family of pre-defined subspaces. This result, which we call the Finite Controllability Theorem, provides a set of sufficient conditions for controllability in an infinite-dimensional setting. We consider specific physical systems that are of interest for quantum computing, and provide insights into the types of quantum operations (gates) that may be developed.
We develop some general results on the properties of the reachable sets for right invariant bilinear systems with state varying on compact Lie groups. The main results consist of a characterization of the set of states reachable in arbitrary time from the identity of the group. This, under suitable assumptions, is proved to be a Lie subgroup of the underlying Lie group. We apply these results to the analysis of the controllability of particles with spin. For these systems we also obtain estimates of the time after which every state is reachable from the identity. The results are motivated by the problem of controlling a two-level quantum system in implementations of quantum computers.
A new notion of controllability for quantum systems that takes advantage of the linear superposition of quantum states is introduced. We call such notion von Neumann controllabilty and it is shown that it is strictly weaker than the usual notion of pure state and operator controlability. We provide a simple and effective characterization of it by using tools from the theory of unitary representations of Lie groups. In this sense we are able to approach the problem of control of quantum states from a new perspective, that of the theory of unitary representations of Lie groups. A few examples of physical interest and the particular instances of compact and nilpotent dynamical Lie groups are discussed.