Engineering PapersSearch

Engineering topics

Galant, D. C.

Publications and source records attributed to Galant, D. C..

Accurate Evaluation of Quantum Integrals

Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schrodinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.

Galant, D. C.

Solution of the Schroedinger equation for a double minimum potential

We apply Richardson's extrapolation to zero mesh size to calculate the dissociation energies and wavefunctions of a double minimum potential curve for the E,F1Sigma(+)g state of H2. We demonstrate that a double minimum potential presents no difficulties and that this extrapolation method is to be preferred over a quadratic extrapolation or the use of a basis expansion.

Goorvitch, D.

The solution of coupled Schroedinger equations using an extrapolation method

In this paper, extrapolation to the limit in a finite-difference method is applied to solve a system of coupled Schroedinger equations. This combination results in a method that only requires knowledge of the potential energy functions for the system. This numerical procedure has several distinct advantages over the more conventional methods. Namely, initial guesses for the term values are not needed; assumptions need be made about the behavior of the wavefunctions, such as the slope or magnitude in the nonclassical region; and the algorithm is easy to implement, has a firm mathematical foundation, and provides error estimates. Moreover, the method is less sensitive to round-off error than other methods since a small number of mesh points is used and it can be implemented on small computers. A comparison of the method with another numerical method shows results agreeing within 1 part in 10 exp 4.

Goorvitch, D.

Schroedinger's radial equation - Solution by extrapolation

A high-accuracy numerical method for the solution of a 1D Schroedinger equation that is suitable for a diatomic molecule, obtained by combining a finite-difference method with iterative extrapolation to the limit, is presently shown to have several advantages over more conventional methods. Initial guesses for the term values are obviated, and implementation of the algorithm is straightforward. The method is both less sensitive to round-off error, and faster than conventional methods for equivalent accuracy. These advantages are illustrated through the solution of Schroedinger's equation for a Morse potential function suited for HCl and a numerically derived Rydberg-Klein-Rees potential function for the X 1Sigma(+) state of CO.

Goorvitch, D.

Acoustic resonances and sound scattering by a shear layer

The reflection and transmission characteristics of plane waves scattered by a finite-thickness shear layer having a linear velocity profile and bounded by two otherwise uniform parallel flows is examined using the pressure perturbation equation solutions in the shear layer shown previously to be in terms of Whittaker M functions. In addition to the angle of plane wave incidence and the relative Mach number of the flows bounding the shear layer, it is found that the scattering properties of the shear layer depend crucially upon a parameter tau in such a manner that the case tau approaching zero characterizes the long wavelength properties of the layer and the case tau approaching infinity characterizes the short wavelength properties of the layer. In contrast to the region of ordinary reflection in the cases where the corresponding vortex sheet does not have a Brewster angle, the values of the reflection coefficient up to tau of 2 follow those of the vortex sheet; for the case for which the corresponding vortex sheet has a Brewster angle, the magnitude of the reflection coefficient may be sensitive to even small changes in tau in certain cases.

Koutsoyannis, S. P.

Acoustic resonances and sound scattering by a shear layer

The energy reflection coefficient is evaluated numerically for plane waves incident on a plane shear layer having a linear velocity profile. The shear layer is found to exhibit no resonances and no Brewster angles. The behavior of the reflection coefficient depends crucially on the parameter tau, a nondimensional measure of the disturbance Strouhal number with respect to the disturbance Mach number in the mean flow direction. For moderate values of tau, the amplified reflection regime degenerates into the total reflection one, whereas in the ordinary reflection regime the variation of the reflection coefficient with tau depends on whether or not the corresponding vortex sheet has a Brewster angle. The results indicate that caution should be exercised in uncritically modeling a finite thickness shear layer by a corresponding vortex sheet.

Koutsoyannis, S. P.