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Mathematical and Computational Methods in R-matrix Theory

Editors: Martin Plummer, Jimena D Gorfinkiel, Jonathan Tennyson

Published by CCP2 (Collaborative Computational Project on Continuum States of Atoms and Molecules).
Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, United Kingdom
Copyright CCP2 2007
Suggested Dewey classification: 539.7, 541.2
ISBN 978-0-9556616-3-1

Contents

Introduction
             M Plummer, J D Gorfinkiel and J Tennyson

R-matrix theory: applications and challenges
             P G Burke

R-matrix for heavy species
             N R Badnell

R-matrix Floquet theory for laser-assisted electron-atom scattering
             K M Dunseath and M Terao-Dunseath

An R-matrix method for positron atom and molecule scattering using explicitly correlated wavefunctions
             J Franz

R-matrix methods for electronic and nuclear dynamics in molecules
             R Guerout, Ch Jungen and M Telmini

A hyperspherical R-matrix scheme for two-active-electron systems
             L Malegat, C Bouri and P Selles

Analysis of anionic molecular complexes within the R-matrix framework
             B Nestmann and M Tarana

Orthogonal and non-orthogonal radial orbital methods in R-matrix electron-atom scattering
             M Plummer

2DRMP: fast computation of the Slater integrals
             N S Scott, M P Scott, L Gr Ixaru and C Denis

Parallel diagonalization performance for R-matrix calculations
             A G Sunderland

The partitioned R-matrix method
             J Tennyson and G Halmova

Finite-elements R-matrix calculations: from molecules to the condensed phase
             S Tonzani
 
 
   
 
 
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