Far-infrared magnetospectroscopy (FIRMS) simulation tool

The firms_sim code and its associated scripts and programs may be used to simulate far-infrared magnetospectroscopy spectra.

Keywords:

Computational chemistry

Cite this dataset as:
Kragskow, J., Chilton, N., 2022. Far-infrared magnetospectroscopy (FIRMS) simulation tool. Version 1.1. Software Heritage. Available from: https://archive.softwareheritage.org/swh:1:rev:80b....

Export

GitLab repository

Creators

Jon Kragskow
University of Manchester; University of Bath

0000-0001-9488-8204

Nicholas Chilton
University of Manchester

0000-0002-8604-0171

Documentation

Additional information:

This record relates to V1.1 (commit 80b8202d) in the GitLab repository. Please cite the associated paper in preference to citing this software directly.

Methodology link:

https://chilton-group.gitlab.io/firms_sim/

Funders

Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266

Studentship (Jon Kragskow)

Royal Society
https://doi.org/10.13039/501100000288

Royal Society University Research Fellowship (Nicholas Chilton)
URF\R1\191320

Publication details

Publication date: 15 November 2022
by: Software Heritage

Version: 1.1

Official landing page URL: https://archive.softwareheritage.org/swh:1:rev:80b...

URL for this record: https://researchdata.bath.ac.uk/id/eprint/1268

Related papers and books

Kragskow, J. G. C., Marbey, J., Buch, C. D., Nehrkorn, J., Ozerov, M., Piligkos, S., Hill, S., and Chilton, N. F., 2022. Analysis of vibronic coupling in a 4f molecular magnet with FIRMS. Nature Communications, 13(1). Available from: https://doi.org/10.1038/s41467-022-28352-2.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Jon Kragskow

Departments:

Faculty of Science
Chemistry