caa a22 4500 445865245 CHVBK 20180317145455.0 cr unu---uuuuu 170323e20111001xx s 000 0 eng 10.1140/epjd/e2011-20227-8 doi (NATIONALLICENCE)springer-10.1140/epjd/e2011-20227-8 A variational adiabatic hyperspherical finite element R matrix methodology: general formalism and application to H+H2 reaction [Elektronische Daten] [M. Guimarães, F. Prudente] 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. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2011 Guimarães M. Instituto de Física, Universidade Federal da Bahia, 40210-340, Salvador, BA, Brazil aut Prudente F. Instituto de Física, Universidade Federal da Bahia, 40210-340, Salvador, BA, Brazil aut The European Physical Journal D Springer-Verlag 64/2-3(2011-10-01), 287-296 1434-6060 64:2-3<287 2011 64 10053 https://doi.org/10.1140/epjd/e2011-20227-8 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2011-20227-8 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Guimarães M. Instituto de Física, Universidade Federal da Bahia, 40210-340, Salvador, BA, Brazil aut NATIONALLICENCE 700 1- Prudente F. Instituto de Física, Universidade Federal da Bahia, 40210-340, Salvador, BA, Brazil aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 64/2-3(2011-10-01), 287-296 1434-6060 64:2-3<287 2011 64 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer