Mant, BP;
Law, MM;
(2018)
Gaussian basis functions for highly oscillatory scattering wavefunctions.
Journal of Physics B: Atomic, Molecular and Optical Physics
, 51
(7)
, Article 075203. 10.1088/1361-6455/aab19f.
Preview |
Text
Mant_2018_J._Phys._B%3A_At._Mol._Opt._Phys._51_075203.pdf - Published Version Download (595kB) | Preview |
Abstract
We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.
| Type: | Article |
|---|---|
| Title: | Gaussian basis functions for highly oscillatory scattering wavefunctions |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/1361-6455/aab19f |
| Publisher version: | http://doi.org/10.1088/1361-6455/aab19f |
| Language: | English |
| Additional information: | Copyright © 2018 IOP Publishing Ltd Printed in the UK. Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. |
| Keywords: | low energy scattering, matter–antimatter interactions, Kohn variational |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10046568 |
Archive Staff Only
 |
View Item |
