95 resultados para Rigid Rotor Harmonic Oscillator Molecular Dyanamics Simultation
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It is a well known result that the Feynman's path integral (FPI) approach to quantum mechanics is equivalent to Schrodinger's equation when we use as integration measure the Wiener-Lebesgue measure. This results in little practical applicability due to the great algebraic complexibity involved, and the fact is that almost all applications of (FPI) - ''practical calculations'' - are done using a Riemann measure. In this paper we present an expansion to all orders in time of FPI in a quest for a representation of the latter solely in terms of differentiable trajetories and Riemann measure. We show that this expansion agrees with a similar expansion obtained from Schrodinger's equation only up to first order in a Riemann integral context, although by chance both expansions referred to above agree for the free. particle and harmonic oscillator cases. Our results permit, from the mathematical point of view, to estimate the many errors done in ''practical'' calculations of the FPI appearing in the literature and, from the physical point of view, our results supports the stochastic approach to the problem.
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We have carried out dielectric and Raman spectroscopy studies at the 298-623 K temperature range in polycrystalline Pb0.70Sr0.30TiO3 thin films grown by a soft chemical method. The diffuse phase-transition behavior of the thin films was observed by means of the dielectric constant versus temperature curves, which show a broad peak. Such behavior was confirmed later by Raman spectroscopy measurements up to 823 K, indicating that a diffuselike phase transition takes place at around 548-573 K. The damping factor of the E(1TO) soft mode was calculated using the damped simple harmonic oscillator model. on the other hand, Raman modes persist above the tetragonal to cubic phase transition temperature although all optical modes should be Raman inactive. The origin of these modes was interpreted in terms of a breakdown of the microscopic local cubic symmetry by chemical disorder. The lack of a well-defined transition temperature and the presence of broad bands at some temperature interval above the ferroelectric-paraelectric phase-transition temperature suggested a diffuse nature of the phase transition. This result corroborates the dielectric constant versus temperature data, which showed a broad ferroelectric phase transition in this thin film. (C) 2004 American Institute of Physics.
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Within the approach of supersymmetric quantum mechanics associated with the variational method a recipe to construct the superpotential of three-dimensional confined potentials in general is proposed. To illustrate the construction, the energies of the harmonic oscillator and the Hulthen potential, both confined in three dimensions are evaluated. Comparison with the corresponding results of other approximative and exact numerical results is presented. (C) 2003 Elsevier B.V. All rights reserved.
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We analyse the properties of the Sp(1, R) model states using a basis obtained from the deformed harmonic oscillator wavefunctions. We make an Sp(1, R) calculation for C-12 and consider bases obtained from oblate, triaxial and prolate intrinsic states. The model states are given by angular momentum projection of vibrational phonons, which are associated with giant monopole and quadrupole resonances.
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Operator bases are discussed in connection with the construction of phase space representatives of operators in finite-dimensional spaces, and their properties are presented. It is also shown how these operator bases allow for the construction of a finite harmonic oscillator-like coherent state. Creation and annihilation operators for the Fock finite-dimensional space are discussed and their expressions in terms of the operator bases are explicitly written. The relevant finite-dimensional probability distributions are obtained and their limiting behavior for an infinite-dimensional space are calculated which agree with the well known results. (C) 1996 Academic Press, Inc.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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We derive an alternative semiclassical approach (to the Wigner-Kirkwood method) for many-body systems using a mapping scheme based on the squeezed states phase space representation. The new expansion is applied to the usual harmonic oscillator case and the differences with the Wigner-Kirkwood results are discussed. © 1990.
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Some postulates are introduced to go from the classical Hamilton-Jacobi theory to the quantum one. We develop two approaches in order to calculate propagators, establishing the connection between them and showing the equivalence of this picture with more known ones such as the Schrödinger's and the Feynman's formalisms. Applications of the above-mentioned approaches to both the standard case of the harmonic oscillator and to the harmonic oscillator with time-dependent parameters are made. © 1991 Plenum Publishing Corporation.
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We show that the wavefunctions 〈pq; λ|n〈, of the harmonic oscillator in the squeezed state representation, have the generalized Hermite polynomials as their natural orthogonal polynomials. These wavefunctions lead to generalized Poisson Distribution Pn(pq;λ), which satisfy an interesting pseudo-diffusion equation: ∂Pnp,q;λ) ∂λ= 1 4 [ ∂2 ∂p2-( 1 λ2) ∂2 ∂q2]P2(p,q;λ), in which the squeeze parameter λ plays the role of time. Th entropies Sn(λ) have minima at the unsqueezed states (λ=1), which means that squeezing or stretching decreases the correlation between momentum p and position q. © 1992.
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A pulsating Gaussian wave packet for the harmonic oscillator is explicitly constructed. The mechanism for that behaviour is pointed out. © 1999 IOP Publishing Ltd.
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The Gross-Pitaevskii equation for Bose-Einstein condensation (BEC) in two space dimensions under the action of a harmonic oscillator trap potential for bosonic atoms with attractive and repulsive interparticle interactions was numerically studied by using time-dependent and time-independent approaches. In both cases, numerical difficulty appeared for large nonlinearity. Nonetheless, the solution of the time-dependent approach exhibited intrinsic oscillation with time iteration which is independent of space and time steps used in discretization.
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We use a five-dimensional approach to Galilean covariance to investigate the non-relativistic Duffin-Kemmer-Petiau first-order wave equations for spinless particles. The corresponding representation is generated by five 6 × 6 matrices. We consider the harmonic oscillator as an example.
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The regular-geometric-figure solution to the N-body problem is presented in a very simple way. The Newtonian formalism is used without resorting to a more involved rotating coordinate system. Those configurations occur for other kinds of interactions beyond the gravitational ones for some special values of the parameters of the forces. For the harmonic oscillator, in particular, it is shown that the N-body problem is reduced to N one-body problems.
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We apply a five-dimensional formulation of Galilean covariance to construct non-relativistic Bhabha first-order wave equations which, depending on the representation, correspond either to the well known Dirac equation (for particles with spin 1/2) or the Duffin-Kemmer-Petiau equation (for spinless and spin 1 particles). Here the irreducible representations belong to the Lie algebra of the 'de Sitter group' in 4 + 1 dimensions, SO(5, 1). Using this approach, the non-relativistic limits of the corresponding equations are obtained directly, without taking any low-velocity approximation. As a simple illustration, we discuss the harmonic oscillator.
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A general form for ladder operators is used to construct a method to solve bound-state Schrödinger equations. The characteristics of supersymmetry and shape invariance of the system are the start point of the approach. To show the elegance and the utility of the method we use it to obtain energy spectra and eigenfunctions for the one-dimensional harmonic oscillator and Morse potentials and for the radial harmonic oscillator and Coulomb potentials.