dc.creator | Guimarães, Marcílio N. | |
dc.creator | Prudente, Frederico Vasconcellos | |
dc.creator | Guimarães, Marcílio N. | |
dc.creator | Prudente, Frederico Vasconcellos | |
dc.date.accessioned | 2012-02-09T16:52:03Z | |
dc.date.accessioned | 2022-10-07T15:09:23Z | |
dc.date.available | 2012-02-09T16:52:03Z | |
dc.date.available | 2022-10-07T15:09:23Z | |
dc.date.created | 2012-02-09T16:52:03Z | |
dc.date.issued | 2011 | |
dc.identifier | 1434-6079 | |
dc.identifier | http://www.repositorio.ufba.br/ri/handle/ri/5367 | |
dc.identifier | v. 64. | |
dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/4004380 | |
dc.description.abstract | The aim of this paper is to present an efficient numerical procedure for the theoretical study of bimolecular reactions. It is based on the R matrix variational formalism and the p-version of the finite element method (p-FEM) for expanding the wave function in a finite basis set, and facilitates the development of an efficient algorithm to invert matrices that significantly reduces the computational time
in R matrix calculations. We also utilise the self-consistent finite element method to optimise the elements mesh and provide faster convergence of results. We apply our methodology to the study of the collinear
H+H2 process and evaluate its efficiency by comparing our results with several results previously published in the literature. | |
dc.language | en | |
dc.source | DOI: 10.1140/epjd/e2011-20227-8 | |
dc.title | A variational adiabatic hyperspherical finite element R matrix methodology: general formalism and application to H + H2 reaction | |
dc.type | Artigo de Periódico | |