A P-stable exponentially fitted method is developed in this paper for the numerical integration of the Schrรถdinger equation. An application to the bound-states problem (we solve the radial Schrรถdinger equation in order to find eigenvalues for which the wavefunction and its derivative are continuous
A Numerically Stable Method for Integration of the Multicomponent Species Diffusion Equations
โ Scribed by William Wangard III; David S. Dandy; Brian J. Miller
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 79 KB
- Volume
- 174
- Category
- Article
- ISSN
- 0021-9991
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โฆ Synopsis
A diagonally implicit method is shown to be an effective method for integrating the multicomponent species conservation equations. The constitutive equation for multicomponent diffusion is recast into a form analogous to that for binary diffusion, except that the diffusion coefficient is replaced with a matrix of effective multicomponent diffusion coefficients. The resulting matrix has properties that allow the diagonal terms to be integrated implicitly and the off-diagonal terms to be integrated explicitly. Numerical experiments show the integration procedure is stable for time steps much larger than the diffusion equation time step condition.
๐ SIMILAR VOLUMES
A numerical method is presented that solves the multicenter KohnแSham equations. The method couples the resolution of the integral form of the equation at a given energy with an iterative search for the eigenvalues. The validity of the method is checked by comparing some test calculations for diatom
Several methods have been developed for the solution of (1) belonging to Category I. We mention the works of An eighth-order P-stable two-step method for the numerical integration of second-order periodic initial-value problems is developed Raptis and Allison [5], Cash, in this paper. This method ha