UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
| Main Author: | Ballantyne, John |
|---|---|
| Other Authors: | Mašín, Zdeněk, Benda, Jakub, Gorfinkiel, Jimena D., Harvey, Alex G., Tennyson, Jonathan |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 2020
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/k3ny7zcfrb |
| ctrlnum |
0.17632-k3ny7zcfrb.1 |
|---|---|
| fullrecord |
<?xml version="1.0"?>
<dc><creator>Ballantyne, John</creator><title>UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method</title><publisher>Mendeley</publisher><description>UKRmol+ is a new implementation of the time-independent UK R-matrix electron–molecule scattering code. Key features of the implementation are the use of quantum chemistry codes such as Molpro to provide target molecular orbitals; the optional use of mixed Gaussian — B-spline basis functions to represent the continuum and improved configuration and Hamiltonian generation. The code is described, and examples covering electron collisions from a range of targets, positron collisions and photoionization are presented. The codes are freely available as a tarball from Zenodo.</description><subject>Computational Physics</subject><subject>Scattering</subject><subject>Photoionization</subject><contributor>Mašín, Zdeněk</contributor><contributor>Benda, Jakub</contributor><contributor>Gorfinkiel, Jimena D.</contributor><contributor>Harvey, Alex G.</contributor><contributor>Tennyson, Jonathan</contributor><type>Other:Dataset</type><identifier>10.17632/k3ny7zcfrb.1</identifier><rights>GNU Public License Version 3</rights><rights>http://www.gnu.org/licenses/gpl-3.0.en.html</rights><relation>https:/data.mendeley.com/datasets/k3ny7zcfrb</relation><date>2020-01-09T12:26:44Z</date><recordID>0.17632-k3ny7zcfrb.1</recordID></dc>
|
| format |
Other:Dataset Other |
| author |
Ballantyne, John |
| author2 |
Mašín, Zdeněk Benda, Jakub Gorfinkiel, Jimena D. Harvey, Alex G. Tennyson, Jonathan |
| title |
UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method |
| publisher |
Mendeley |
| publishDate |
2020 |
| topic |
Computational Physics Scattering Photoionization |
| url |
https:/data.mendeley.com/datasets/k3ny7zcfrb |
| contents |
UKRmol+ is a new implementation of the time-independent UK R-matrix electron–molecule scattering code. Key features of the implementation are the use of quantum chemistry codes such as Molpro to provide target molecular orbitals; the optional use of mixed Gaussian — B-spline basis functions to represent the continuum and improved configuration and Hamiltonian generation. The code is described, and examples covering electron collisions from a range of targets, positron collisions and photoionization are presented. The codes are freely available as a tarball from Zenodo. |
| id |
IOS7969.0.17632-k3ny7zcfrb.1 |
| institution |
Universitas Islam Indragiri |
| affiliation |
onesearch.perpusnas.go.id |
| institution_id |
804 |
| institution_type |
library:university library |
| library |
Teknologi Pangan UNISI |
| library_id |
2816 |
| collection |
Artikel mulono |
| repository_id |
7969 |
| city |
INDRAGIRI HILIR |
| province |
RIAU |
| shared_to_ipusnas_str |
1 |
| repoId |
IOS7969 |
| first_indexed |
2020-04-08T08:22:49Z |
| last_indexed |
2020-04-08T08:22:49Z |
| recordtype |
dc |
| _version_ |
1686587561975218176 |
| score |
17.538404 |