Newton algorithm for Hamiltonian characterization in quantum control

We propose a Newton algorithm to characterize the Hamiltonian of a quantum system interacting with a given laser field. The algorithm is based on the assumption that the evolution operator of the system is perfectly known at a fixed time. The computational scheme uses the Crank-Nicholson approximation to explicitly determine the derivatives of the propagator with respect to the Hamiltonians of the system. In order to globalize this algorithm, we use a continuation method that improves its convergence properties. This technique is applied to a two-level quantum system and to a molecular one with a double-well potential. The numerical tests show that accurate estimates of the unknown parameters are obtained in some cases. We discuss the numerical limits of the algorithm in terms of basin of convergence and non uniqueness of the solution.Comment: 18 pages, 7 figure

Time optimization and state-dependent constraints in the quantum optimal control of molecular orientation

We apply two recent generalizations of monotonically convergent optimization algorithms to the control of molecular orientation by laser fields. We show how to minimize the control duration by a step-wise optimization and maximize the field-free molecular orientation using state-dependent constraints. We discuss the physical relevance of the different results.Comment: 11 pages, 2 figures. Submitted J. Mod. Opt. (2013

Control of molecular dynamics with zero-area fields: Application to molecular orientation and photofragmentation

The constraint of time-integrated zero-area on the laser field is a fundamental, both theoretical and experimental requirement in the control of molecular dynamics. By using techniques of local and optimal control theory, we show how to enforce this constraint on two benchmark control problems, namely molecular orientation and photofragmentation. The origin and the physical implications on the dynamics of this zero-area control field are discussed.Comment: 19 pages, 7 figure

A Chebychev propagator with iterative time ordering for explicitly time-dependent Hamiltonians

A propagation method for time-dependent Schr\"odinger equations with an explicitly time-dependent Hamiltonian is developed where time ordering is achieved iteratively. The explicit time-dependence of the time-dependent Schr\"odinger equation is rewritten as an inhomogeneous term. At each step of the iteration, the resulting inhomogeneous Schr\"odinger equation is solved with the Chebychev propagation scheme presented in J. Chem. Phys. 130, 124108 (2009). The iteratively time-ordering Chebychev propagator is shown to be robust, efficient and accurate and compares very favorably to all other available propagation schemes

New, Highly Accurate Propagator for the Linear and Nonlinear Schr\"odinger Equation

A propagation method for the time dependent Schr\"odinger equation was studied leading to a general scheme of solving ode type equations. Standard space discretization of time-dependent pde's usually results in system of ode's of the form u_t -Gu = s where G is a operator (matrix) and u is a time-dependent solution vector. Highly accurate methods, based on polynomial approximation of a modified exponential evolution operator, had been developed already for this type of problems where G is a linear, time independent matrix and s is a constant vector. In this paper we will describe a new algorithm for the more general case where s is a time-dependent r.h.s vector. An iterative version of the new algorithm can be applied to the general case where G depends on t or u. Numerical results for Schr\"odinger equation with time-dependent potential and to non-linear Schr\"odinger equation will be presented.Comment: 14 page

Errors in quantum optimal control and strategy for the search of easily implementable control pulses

We introduce a new approach to assess the error of control problems we aim to optimize. The method offers a strategy to define new control pulses that are not necessarily optimal but still able to yield an error not larger than some fixed a priori threshold, and therefore provide control pulses that might be more amenable for an experimental implementation. The formalism is applied to an exactly solvable model and to the Landau-Zener model, whose optimal control problem is solvable only numerically. The presented method is of importance for applications where a high degree of controllability of the dynamics of quantum systems is required.Comment: 13 pages, 3 figure

Elaboration et évaluation d'algorithmes de dépistage des MST chez la femme enceinte à Libreville, Gabon

La lutte contre les MST constitue une priorité de santé publique des pays en développement de par leurs complications propres, en particulier chez la femme, et de par leur rôle facilitant la transmission du VIH. Une des stratégies de lutte contre les MST est le diagnostic et le traitement précoces de ces infections. Les MST, en particulier les infections à gonocoques et à #Chlamydiae trachomatis$sont d'un diagnostic difficile chez la femme en l'absence d'examens complémentaires, ceux-ci faisant souvent défaut au niveau des structures de soins de santé primaire. Dans ce contexte, l'approche syndromique, basée sur la prise en compte de signes et symptômes, peut permettre de standardiser et d'améliorer la prise en charge des patientes. Une étude de prévalence et de facteurs de risque des MST, effectuées chez 192 femmes enceintes consultant en PMI à Libreville (Gabon), en septembre 1993, a confirmé la prévalence des MST dans cette population (13,5$). L'évaluation de différentes stratégies diagnostiques et d'algorithmes montre que, quel que soit le niveau d'examen (données d'interrogatoire, examen clinique simple, examen au spéculum), l'utilisation de scores intégrant des facteurs de risque, des symptômes et des signes cliniques est plus performante que les algorithmes hiérarchiques. Ces scores présentent des sensibilités et des spécificités élevées et sont d'une mise en oeuvre facile. Leur application pourrait donc permettre le dépistage efficace des MST et éviter, ainsi, une grande partie des complications maternelles et infantiles. (Résumé d'auteur

Mas-related G-protein–coupled receptors inhibit pathological pain in mice

An important objective of pain research is to identify novel drug targets for the treatment of pathological persistent pain states, such as inflammatory and neuropathic pain. Mas-related G-protein–coupled receptors (Mrgprs) represent a large family of orphan receptors specifically expressed in small-diameter nociceptive primary sensory neurons. To determine the roles of Mrgprs in persistent pathological pain states, we exploited a mouse line in which a chromosomal locus spanning 12 Mrgpr genes was deleted (KO). Initial studies indicated that these KO mice show prolonged mechanical- and thermal-pain hypersensitivity after hind-paw inflammation compared with wild-type littermates. Here, we show that this mutation also enhances the windup response of dorsal-horn wide dynamic-range neurons, an electrophysiological model for the triggering of central pain sensitization. Deletion of the Mrgpr cluster also blocked the analgesic effect of intrathecally applied bovine adrenal medulla peptide 8–22 (BAM 8–22), an MrgprC11 agonist, on both inflammatory heat hyperalgesia and neuropathic mechanical allodynia. Spinal application of bovine adrenal medulla peptide 8–22 also significantly attenuated windup in wild-type mice, an effect eliminated in KO mice. These data suggest that members of the Mrgpr family, in particular MrgprC11, may constitute an endogenous inhibitory mechanism for regulating persistent pain in mice. Agonists for these receptors may, therefore, represent a class of antihyperalgesics for treating persistent pain with minimal side effects because of the highly specific expression of their targets