Search results for "Series expansion"
showing 10 items of 42 documents
High excitations in coupled-cluster series: vibrational energy levels of ammonia
2004
The ammonia molecule containing large amplitude inversion motion is a revealing system in examining high-order correlation effects on potential energy surfaces. Correlation contributions to the equilibrium and saddle point geometries, inversion barrier height and vibrational energy levels, including inversion splittings, have been investigated. A six-dimensional Taylor-type series expansion of the Born–Oppenheimer potential energy surface, which is scaled to different levels of theory, is used to determine vibrational energy levels and inversion splittings variationally. The electronic energies are calculated by coupled-cluster methods, combining explicitly correlated R12 theory (which incl…
A series expansion of the extended Debye-H�ckel equation and application to linear prediction of stability constants
1996
The Debye-Hückel semiempirical extended equation is frequently used to calculate activity coefficients of chemical species and equilibrium constants at ionic strengths different from those used in their experimental evaluation. A series expansion of the extended Debye-Hückel equation is proposed here and checked with experimental data taken from the literature. The expansion is linear in the ionic parameters and yields a geometrical series which converges rapidly and that enables the accurate calculation of interpolated and extrapolated activity coefficients and equilibrium constants by simple and multiple linear regression without previous knowledge of the ionic parameters.
Arbitrarily shaped plates analysis via Line Element-Less Method (LEM)
2018
Abstract An innovative procedure is introduced for the analysis of arbitrarily shaped thin plates with various boundary conditions and under generic transverse loading conditions. Framed into Line Element-less Method, a truly meshfree method, this novel approach yields the solution in terms of the deflection function in a straightforward manner, without resorting to any discretization, neither in the domain nor on the boundary. Specifically, expressing the deflection function through a series expansion in terms of harmonic polynomials, it is shown that the proposed method requires only the evaluation of line integrals along the boundary parametric equation. Further, minimization of appropri…
A correction method for dynamic analysis of linear systems
2004
Abstract This paper proposes an analytical method to improve the accuracy of the dynamic response of classically damped linear systems, as given by a standard truncated modal analysis. Upon computing the first m undamped modes of a n-degree-of-freedom system, two sets of equations in the Rn nodal space are built, which are uncoupled and govern the contribution to the response of the m computed modes and the remaining (n−m) unknown modes, respectively. The first set is solved in the Rm modal space by using the m available modes; the second set is solved in a reduced R(n−m) nodal space, without computing additional modes. Specifically, it is shown that the particular solution of the second se…
On the use of fractional calculus for the probabilistic characterization of random variables
2009
In this paper, the classical problem of the probabilistic characterization of a random variable is re-examined. A random variable is usually described by the probability density function (PDF) or by its Fourier transform, namely the characteristic function (CF). The CF can be further expressed by a Taylor series involving the moments of the random variable. However, in some circumstances, the moments do not exist and the Taylor expansion of the CF is useless. This happens for example in the case of $\alpha$--stable random variables. Here, the problem of representing the CF or the PDF of random variables (r.vs) is examined by introducing fractional calculus. Two very remarkable results are o…
Accurate expansion of cylindrical paraxial waves for its straightforward implementation in electromagnetic scattering
2017
Abstract The evaluation of vector wave fields can be accurately performed by means of diffraction integrals, differential equations and also series expansions. In this paper, a Bessel series expansion which basis relies on the exact solution of the Helmholtz equation in cylindrical coordinates is theoretically developed for the straightforward yet accurate description of low-numerical-aperture focal waves. The validity of this approach is confirmed by explicit application to Gaussian beams and apertured focused fields in the paraxial regime. Finally we discuss how our procedure can be favorably implemented in scattering problems.
A method of variation of boundaries for waveguide grating couplers
2008
We describe a method for calculating the solution of the electromagnetic field in a non-rectilinear open waveguide by using a series expansion, starting from the field of a rectilinear waveguide. Our approach is based on a method of variation of boundaries. We prove that the obtained series expansion converges and we provide a radiation condition at infinity in such a way that the problem has a unique solution. Our approach can model several kinds of optical devices which are used in optical integrated circuits. Numerical examples will be shown for the case of finite aperiodic waveguide grating couplers.
High order normal form construction near the elliptic orbit of the Sitnikov problem
2011
We consider the Sitnikov problem; from the equations of motion we derive the approximate Hamiltonian flow. Then, we introduce suitable action–angle variables in order to construct a high order normal form of the Hamiltonian. We introduce Birkhoff Cartesian coordinates near the elliptic orbit and we analyze the behavior of the remainder of the normal form. Finally, we derive a kind of local stability estimate in the vicinity of the periodic orbit for exponentially long times using the normal form up to 40th order in Cartesian coordinates.
Vibration of damaged beams under a moving mass: theory and experimental validation
2004
Abstract A theoretical and experimental study of the response of a damaged Euler–Bernoulli beam traversed by a moving mass is presented. Damage is modelled through rotational springs whose compliance is evaluated using linear elastic fracture mechanics. The analytical solution is based on the series expansion of the unknown deflection in a basis of the beam eigenfunctions. The latter are calculated using the transfer matrix method, taking into account the effective mass distribution of the beam. The convective acceleration terms, often omitted in similar studies, are considered here for a correct evaluation of the beam–moving mass interaction force. The analytical solution is then validated…
Convergence of Boobnov-Galerkin Method Exemplified
2004
In this Note, Boobnov–Galerkin’s method is proved to converge to an exact solution for an applied mechanics problem. We address in detail the interrelation of Boobnov–Galerkin method and the exact solution in the beam deflection problems. Namely, we show the coincidence of these two methods for clamped–clamped boundary conditions, using an alternative set of functions proposed by Filonenko-Borodich.12 Received 25 February 2003; accepted for publication 13 March 2004. Copyright c 2004 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved. Copies of this paper may be made for personal or internal use, on condition that the copier pay the $10.00 per-copy fee to th…