95 resultados para Rigid Rotor Harmonic Oscillator Molecular Dyanamics Simultation


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The fractional generalized Langevin equation (FGLE) is proposed to discuss the anomalous diffusive behavior of a harmonic oscillator driven by a two-parameter Mittag-Leffler noise. The solution of this FGLE is discussed by means of the Laplace transform methodology and the kernels are presented in terms of the three-parameter Mittag-Leffler functions. Recent results associated with a generalized Langevin equation are recovered.

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We solve the generalized relativistic harmonic oscillator in 1+1 dimensions, i.e., including a linear pseudoscalar potential and quadratic scalar and vector potentials which have equal or opposite signs. We consider positive and negative quadratic potentials and discuss in detail their bound-state solutions for fermions and antifermions. The main features of these bound states are the same as the ones of the generalized three-dimensional relativistic harmonic oscillator bound states. The solutions found for zero pseudoscalar potential are related to the spin and pseudospin symmetry of the Dirac equation in 3+1 dimensions. We show how the charge conjugation and gamma(5) chiral transformations relate the several spectra obtained and find that for massless particles the spin and pseudospin symmetry-related problems have the same spectrum but different spinor solutions. Finally, we establish a relation of the solutions found with single-particle states of nuclei described by relativistic mean-field theories with scalar, vector, and isoscalar tensor interactions and discuss the conditions in which one may have both nucleon and antinucleon bound states.

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A study of the reducibility of the Fock space representation of the q-deformed harmonic oscillator algebra for real and root of unity values of the deformation parameter is carried out by using the properties of the Gauss polynomials. When the deformation parameter is a root of unity, an interesting result comes out in the form of a reducibility scheme for the space representation which is based on the classification of the primitive or nonprimitive character of the deformation parameter. An application is carried out for a q-deformed harmonic oscillator Hamiltonian, to which the reducibility scheme is explicitly applied.

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This paper investigates the usefulness of the generator coordinate method (GCM) for treating the dynamics of a reaction coordinate coupled to a bath of harmonic degrees of freedom. Models for the unimolecular dissociation and isomerization process (proton transfer) are analyzed. The GCM results, presented in analytical form, provide a very good description and are compared to other methods Like the basis set method and multiconfiguration time dependent self-consistent field. (C) 1998 American Institute of Physics. [S0021-9606(98)50934-8].

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The charged oscillator, defined by the Hamiltonian H = -d2/dr2+ r2 + lambda/r in the domain [0, infinity], is a particular case of the family of spiked oscillators, which does not behave as a supersingular Hamiltonian. This problem is analysed around the three regions lambda --> infinity, lambda --> 0 and lambda --> -infinity by using Rayleigh-Ritz large-order perturbative expansions. A path is found to connect the large lambda regions with the small lambda region by means of the renormalization of the series expansions in lambda. Finally, the Riccati-Pade method is used to construct an implicit expansion around lambda --> 0 which extends to very large values of Absolute value of lambda.

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We show that relativistic mean fields theories with scalar S, and vector V, quadratic radial potentials can generate a harmonic oscillator with exact pseudospin symmetry and positive energy bound states when S = -V. The eigenenergies are quite different from those of the non-relativistic harmonic oscillator. We also discuss a mechanism for perturbatively breaking this, symmetry by introducing a tensor potential. Our results shed light into the intrinsic relativistic nature of the pseudospin symmetry, which might be important in high density systems such as neutron stars.

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A perturbative study of a class of nonsingular spiked harmonic oscillators defined by the Hamiltonian H= -d2/dr2 + r2 + λ/rα in the domain [0,∞] is carried out, in the two extremes of a weak coupling and a strong coupling regimes. A path has been found to connect both expansions for α near 2. © 1991 American Institute of Physics.

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A harmonic oscillator isospectral potential obtained by supersymmetric algebra applied to quantum mechanics is suggested to simulate DNA H bonds. Thermic denaturation is studied with this potential.

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A generalized relativistic harmonic oscillator for spin 1/2 particles is studied. The Dirac Hamiltonian contains a scalar S and a vector V quadratic potentials in the radial coordinate, as well as a tensor potential U linear in r. Setting either or both combinations Σ=5+V and δ=V-S to zero, analytical solutions for bound states of the corresponding Dirac equations are found. The eigenenergies and wave functions are presented and particular cases are discussed, devoting a special attention to the nonrelativistic limit and the case Σ=0, for which pseudospin symmetry is exact. We also show that the case U=δ=0 is the most natural generalization of the nonrelativistic harmonic oscillator. The radial node structure of the Dirac spinor is studied for several combinations of harmonic-oscillator potentials, and that study allows us to explain why nuclear intruder levels cannot be described in the framework of the relativistic harmonic oscillator in the pseudospin limit.

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We compute the analytical solutions of the generalized relativistic harmonic oscillator in 1+1 dimensions, including a linear pseudoscalar potential and quadratic scalar and vector potentials which have equal or opposite signs These are the conditions in which pseudospin or spin symmetries can be realized We consider positive and negative quadratic potentials and present their bound-state solutions for fermions and an-tifermions. We relate the spin-type and pseudospin-type spectra through charge conjugation and γ5 chiral transformations. Finally, we establish a relation of the solutions found with single-particle states of nuclei described by relativistic mean-field theories with tensor interactions and discuss the conditions in which one may have both nucleon and antin-ucleon bound states.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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A variational analysis of the spiked harmonic oscillator Hamiltonian operator - d2/dx2 + x2 + l(l + 1)/x2 + λ|x| -α, where α is a real positive parameter, is reported in this work. The formalism makes use of the functional space spanned by the solutions of the Schrödinger equation for the linear harmonic oscillator Hamiltonian supplemented by a Dirichlet boundary condition, and a standard procedure for diagonalizing symmetric matrices. The eigenvalues obtained by increasing the dimension of the basis set provide accurate approximations for the ground state energy of the model system, valid for positive and relatively large values of the coupling parameter λ. Additionally, a large coupling perturbative expansion is carried out and the contributions up to fourth-order to the ground state energy are explicitly evaluated. Numerical results are compared for the special case α = 5/2. © 1989 American Institute of Physics.