996 resultados para Optimized perturbation theory


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We have considered a Bose gas in an anisotropic potential. Applying the the Gross-Pitaevskii Equation (GPE) for a confined dilute atomic gas, we have used the methods of optimized perturbation theory and self-similar root approximants, to obtain an analytical formula for the critical number of particles as a function of the anisotropy parameter for the potential. The spectrum of the GPE is also discussed.

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Pós-graduação em Física - IFT

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The optimized δ-expansion is used to study vacuum polarization effects in the Walecka model. The optimized δ-expansion is a nonperturbative approach for field theoretic models which combines the techniques of perturbation theory and the variational principle. Vacuum effects on self-energies and the energy density of nuclear matter are studied up to script O sign(δ2). When exchange diagrams are neglected, the traditional relativistic Hartree approximation (RHA) results are exactly reproduced and, using the same set of parameters that saturate nuclear matter in the RHA, a new stable, tightly bound state at high density is found.

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The optimized delta-expansion is a nonperturbative approach for field theoretic models which combines the techniques of perturbation theory and the variational principle. This technique is discussed in the lambda phi(4) model and then implemented in the Walecka model for the equation of state of nuclear matter. The results obtained with the delta expansion are compared with those obtained with the traditional mean field, relativistic Hartree and Hartree-Fock approximations.

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We generalize Wertheim's first order perturbation theory to account for the effect in the thermodynamics of the self-assembly of rings characterized by two energy scales. The theory is applied to a lattice model of patchy particles and tested against Monte Carlo simulations on a fcc lattice. These particles have 2 patches of type A and 10 patches of type B, which may form bonds AA or AB that decrease the energy by epsilon(AA) and by epsilon(AB) = r epsilon(AA), respectively. The angle theta between the 2 A-patches on each particle is fixed at 601, 90 degrees or 120 degrees. For values of r below 1/2 and above a threshold r(th)(theta) the models exhibit a phase diagram with two critical points. Both theory and simulation predict that rth increases when theta decreases. We show that the mechanism that prevents phase separation for models with decreasing values of theta is related to the formation of loops containing AB bonds. Moreover, we show that by including the free energy of B-rings ( loops containing one AB bond), the theory describes the trends observed in the simulation results, but that for the lowest values of theta, the theoretical description deteriorates due to the increasing number of loops containing more than one AB bond.

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A procedure based on quantum molecular similarity measures (QMSM) has been used to compare electron densities obtained from conventional ab initio and density functional methodologies at their respective optimized geometries. This method has been applied to a series of small molecules which have experimentally known properties and molecular bonds of diverse degrees of ionicity and covalency. Results show that in most cases the electron densities obtained from density functional methodologies are of a similar quality than post-Hartree-Fock generalized densities. For molecules where Hartree-Fock methodology yields erroneous results, the density functional methodology is shown to yield usually more accurate densities than those provided by the second order Møller-Plesset perturbation theory

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The Kr 4s-electron photoionization cross section as a function of the exciting-photon energy in the range between 30 eV and 90 eV was calculated using the configuration interaction (CI) technique in intermediate coupling. In the calculations the 4p spin-orbital interaction and corrections due to higher orders of perturbation theory (the so-called Coulomb interaction correlational decrease) were considered. Energies of Kr II states were calculated and agree with spectroscopic data within less than 10 meV. For some of the Kr II states new assignments were suggested on the basis of the largest component among the calculated CI wavefunctions.

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A procedure based on quantum molecular similarity measures (QMSM) has been used to compare electron densities obtained from conventional ab initio and density functional methodologies at their respective optimized geometries. This method has been applied to a series of small molecules which have experimentally known properties and molecular bonds of diverse degrees of ionicity and covalency. Results show that in most cases the electron densities obtained from density functional methodologies are of a similar quality than post-Hartree-Fock generalized densities. For molecules where Hartree-Fock methodology yields erroneous results, the density functional methodology is shown to yield usually more accurate densities than those provided by the second order Møller-Plesset perturbation theory

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Dirac's hole theory and quantum field theory are usually considered equivalent to each other. The equivalence, however, does not necessarily hold, as we discuss in terms of models of a certain type. We further suggest that the equivalence may fail in more general models. This problem is closely related to the validity of the Pauli principle in intermediate states of perturbation theory.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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By using the reductive perturbation method of Taniuti with the introduction of an infinite sequence of slow time variables tau(1), tau(3), tau(5), ..., we study the propagation of long surface-waves in a shallow inviscid fluid. The Korteweg-de Vries (KdV) equation appears as the lowest order amplitude equation in slow variables. In this context, we show that, if the lowest order wave amplitude zeta(0) satisfies the KdV equation in the time tau(3), it must satisfy the (2n+1)th order equation of the KdV hierarchy in the time tau(2n+1), With n = 2, 3, 4,.... AS a consequence of this fact, we show with an explicit example that the secularities of the evolution equations for the higher-order terms (zeta(1), zeta(2),...) of the amplitude can be eliminated when zeta(0) is a solitonic solution to the KdV equation. By reversing this argument, we can say that the requirement of a secular-free perturbation theory implies that the amplitude zeta(0) satisfies the (2n+1)th order equation of the KdV hierarchy in the time tau(2n+1) This essentially means that the equations of the KdV hierarchy do play a role in perturbation theory. Thereafter, by considering a solitary-wave solution, we show, again with an explicit, example that the elimination of secularities through the use of the higher order KdV hierarchy equations corresponds, in the laboratory coordinates, to a renormalization of the solitary-wave velocity. Then, we conclude that this procedure of eliminating secularities is closely related to the renormalization technique developed by Kodama and Taniuti.

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In this article we describe some qualitative and geometric aspects of nonsmooth dynamical systems theory around typical singularities. We also establish an interaction between nonsmooth systems and geometric singular perturbation theory. Such systems are represented by discontinuous vector fields on R(l), l >= 2, where their discontinuity set is a codimension one algebraic variety. By means of a regularization process proceeded by a blow-up technique we are able to bring about some results that bridge the space between discontinuous systems and singularly perturbed smooth systems. We also present an analysis of a subclass of discontinuous vector fields that present transient behavior in the 2-dimensional case, and we dedicate a section to providing sufficient conditions in order for our systems to have local asymptotic stability.

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By considering the long-wavelength limit of the regularized long wave (RLW) equation, we study its multiple-time higher-order evolution equations. As a first result, the equations of the Korteweg-de Vries hierarchy are shown to play a crucial role in providing a secularity-free perturbation theory in the specific case of a solitary-wave solution. Then, as a consequence, we show that the related perturbative series can be summed and gives exactly the solitary-wave solution of the RLW equation. Finally, some comments and considerations are made on the N-soliton solution, as well as on the limitations of applicability of the multiple-scale method in obtaining uniform perturbative series.