Generalized Langevin equation: An efficient approach to nonequilibrium molecular dynamics of open systems

The generalized Langevin equation (GLE) has been recently suggested to simulate the time evolution of classical solid and molecular systems when considering general nonequilibrium processes. In this approach, a part of the whole system (an open system), which interacts and exchanges energy with its dissipative environment, is studied. Because the GLE is derived by projecting out exactly the harmonic environment, the coupling to it is realistic, while the equations of motion are non-Markovian. Although the GLE formalism has already found promising applications, e. g., in nanotribology and as a powerful thermostat for equilibration in classical molecular dynamics simulations, efficient algorithms to solve the GLE for realistic memory kernels are highly nontrivial, especially if the memory kernels decay nonexponentially. This is due to the fact that one has to generate a colored noise and take account of the memory effects in a consistent manner. In this paper, we present a simple, yet efficient, algorithm for solving the GLE for practical memory kernels and we demonstrate its capability for the exactly solvable case of a harmonic oscillator coupled to a Debye bath.

Nonlinearity as a resource for nonclassicality in anharmonic systems

Nonclassicality is a key ingredient for quantum enhanced technologies and experiments involving macro- scopic quantum coherence. Considering various exactly-solvable quantum-oscillator systems, we address the role played by the anharmonicity of their potential in the establishment of nonclassical features. Specifically, we show that a monotonic relation exists between the the entropic nonlinearity of the considered potentials and their ground state nonclassicality, as quantified by the negativity of the Wigner function. In addition, in order to clarify the role of squeezing--which is not captured by the negativity of the Wigner function--we focus on the Glauber-Sudarshan P-function and address the nonclassicality/nonlinearity relation using the entanglement potential. Finally, we consider the case of a generic sixth-order potential confirming the idea that nonlinearity is a resource for the generation of nonclassicality and may serve as a guideline for the engineering of quantum oscillators.

Superintégrabilité avec séparation de variables en coordonnées polaires et intégrales du mouvement d’ordre supérieur à deux

Dans cette thèse, nous proposons de nouveaux résultats de systèmes superintégrables séparables en coordonnées polaires. Dans un premier temps, nous présentons une classification complète de tous les systèmes superintégrables séparables en coordonnées polaires qui admettent une intégrale du mouvement d'ordre trois. Des potentiels s'exprimant en terme de la sixième transcendante de Painlevé et de la fonction elliptique de Weierstrass sont présentés. Ensuite, nous introduisons une famille infinie de systèmes classiques et quantiques intégrables et exactement résolubles en coordonnées polaires. Cette famille s'exprime en terme d'un paramètre k. Le spectre d'énergie et les fonctions d'onde des systèmes quantiques sont présentés. Une conjecture postulant la superintégrabilité de ces systèmes est formulée et est vérifiée pour k=1,2,3,4. L'ordre des intégrales du mouvement proposées est 2k où k ∈ ℕ. La structure algébrique de la famille de systèmes quantiques est formulée en terme d'une algèbre cachée où le nombre de générateurs dépend du paramètre k. Une généralisation quasi-exactement résoluble et intégrable de la famille de potentiels est proposée. Finalement, les trajectoires classiques de la famille de systèmes sont calculées pour tous les cas rationnels k ∈ ℚ. Celles-ci s'expriment en terme des polynômes de Chebyshev. Les courbes associées aux trajectoires sont présentées pour les premiers cas k=1, 2, 3, 4, 1/2, 1/3 et 3/2 et les trajectoires bornées sont fermées et périodiques dans l'espace des phases. Ainsi, les résultats obtenus viennent renforcer la possible véracité de la conjecture.

Position-dependent effective mass Dirac equations with PT-symmetric and non-PT-symmetric potentials

We present a new procedure to construct the one-dimensional non-Hermitian imaginary potential with a real energy spectrum in the context of the position-dependent effective mass Dirac equation with the vector-coupling scheme in 1 + 1 dimensions. In the first example, we consider a case for which the mass distribution combines linear and inversely linear forms, the Dirac problem with a PT-symmetric potential is mapped into the exactly solvable Schrodinger-like equation problem with the isotonic oscillator by using the local scaling of the wavefunction. In the second example, we take a mass distribution with smooth step shape, the Dirac problem with a non-PT-symmetric imaginary potential is mapped into the exactly solvable Schrodinger-like equation problem with the Rosen-Morse potential. The real relativistic energy levels and corresponding wavefunctions for the bound states are obtained in terms of the supersymmetric quantum mechanics approach and the function analysis method.

Bounded solutions of fermions in the background of mixed vector-scalar Poeschl-Teller-like potentials

The problem of a fermion subject to a convenient mixing of vector and scalar potentials in a two-dimensional space-time is mapped into a Sturm-Liouville problem. For a specific case which gives rise to an exactly solvable effective modified Poschl-Teller potential in the Sturm-Liouville problem, bound-state solutions are found. The behaviour of the upper and lower components of the Dirac spinor is discussed in detail and some unusual results are revealed. The Dirac delta potential as a limit of the modified Poschl-Teller potential is also discussed. The problem is also shown to be mapped into that of massless fermions subject to classical topological scalar and pseudoscalar potentials. Copyright (C) EPLA, 2007.

Dirac equation exact solutions for generalized asymmetrical Hartmann potentials

In this work we solve the Dirac equation by constructing the exact bound state solutions for a mixing of vector and scalar generalized Hartmann potentials. This is done provided the vector potential is equal to or minus the scalar potential. The cases of some quasi-exactly solvable and Morse-like potentials are briefly commented. (c) 2006 Elsevier B.V. All rights reserved.

Trapping neutral fermions with kink-like potentials

The intrinsically relativistic problem of neutral fermions subject to kink-like potentials (similar to tanh gamma x) is investigated and the exact bound-state solutions are found. Apart from the lonely hump solutions for E = +/- mc(2), the problem is mapped into the exactly solvable Sturm-Liouville problem with a modified Poschl-Teller potential. An apparent paradox concerning the uncertainty principle is solved by resorting to the concepts of effective mass and effective Compton wavelength. (c) 2005 Elsevier B.V. All rights reserved.

Extension of PT-symmetric quantum mechanics to the Dirac theory with position-dependent mass

We present a new method to construct the exactly solvable PT-symmetric potentials within the framework of the position-dependent effective mass Dirac equation with the vector potential coupling scheme in 1 + 1 dimensions. In order to illustrate the procedure, we produce three PT-symmetric potentials as examples, which are PT-symmetric harmonic oscillator-like potential, PT-symmetric potential with the form of a linear potential plus an inversely linear potential, and PT-symmetric kink-like potential, respectively. The real relativistic energy levels and corresponding spinor components for the bound states are obtained by using the basic concepts of the supersymmetric quantum mechanics formalism and function analysis method. (C) 2007 Elsevier B.V. All rights reserved.

General structures of Hamiltonian hierarchies

Three dimensional exactly solvable quantum potentials for which an extra term of form 1/r(2) has been added are shown to maintain their functional form which allows the construction of the Hamiltonian hierarchy and the determination of the spectra of eigenvalues and eigenfunctions within the Supersymmetric Quantum Mechanics formalism. For the specific cases of the harmonic oscillator and the Coulomb potentials, known as pseudo-harmonic oscillator and pseudo-Coulomb potentials, it is shown here that the inclusion of the new term corresponds to rescaling the angular momentum and it is responsible for maintaining their exact solvability.

On the solutions of the position-dependent effective mass Schrodinger equation of a nonlinear oscillator related with the isotonic oscillator

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Nonperturbative approach to potentials in impenetrable boxes based on quasi-exact solvability

In this work we develop an approach to obtain analytical expressions for potentials in an impenetrable box. In this kind of system the expression has the advantage of being valid for arbitrary values of the box length, and respect the correct quantum limits. The similarity of this kind of problem with the quasi exactly solvable potentials is explored in order to accomplish our goals. Problems related to the break of symmetries and simultaneous eigenfunctions of commuting operators are discussed.

Ladder operators for subtle hidden shape-invariant potentials

Ladder operators can be constructed for all potentials that present the integrability condition known as shape invariance, satisfied by most of the exactly solvable potentials. Using the superalgebra of supersymmetric quantum mechanics, we construct the ladder operators for two exactly solvable potentials that present a subtle hidden shape invariance.

Comment on 'Relativistic extension of shape-invariant potentials'

This comment criticizes the recently published approach of Alhaidari for solving relativistic problems. It is shown that his gauge considerations are inaccurate and that the class of exactly solvable relativistic problems is not as large as the author claims.

Mapping deformed hyperbolic potentials into nondeformed ones

In this work we introduce a mapping between the so-called deformed hyperbolic potentials, which are presenting a continuous interest in the last few years, and the corresponding nondeformed ones. As a consequence, we conclude that these deformed potentials do not pertain to a new class of exactly solvable potentials, but to the same one of the corresponding nondeformed ones. Notwithstanding, we can reinterpret this type of deformation as a kind of symmetry of the nondeformed potentials. © 2005 Elsevier B.V. All rights reserved.

Estados ligados em mecânica quântica relativística

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)