The Strong-Field Control of IBr Photodissociation Re-visited

DOI

Data supporting the calculations in the paper. These include the input, output and operator files for the Quantics program to run wavepacket simulations of the control of IBr using the Non-resonant Dynamics Stark Effect. These files, which are mostly standard ascii, with binary data files, can be used together with Quantics to generate the data in the paper Sanz Sanz and Worth (Phys. Chem. Chem. Phys. (2025, 27, 16428 - 16434 )). The data files for the potential surfaces, which can be used to generate the surfaces using spline-fits in Quantics, are also present. Quantics is a mostly Fortran code for running quantum dynamics simulations. It is open source and runs on linux workstations. It is freely available on request to the authors of the paper. For further details of the Quantics Package see Comp. Phys. Comm., 248:107040–15, 2020.

Identifier
DOI https://doi.org/10.5522/04/29205701.v1
Related Identifier HasPart https://ndownloader.figshare.com/files/56383739
Metadata Access https://api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:figshare.com:article/29205701
Provenance
Creator Worth, Graham; Sanz-Sanz, Cristina ORCID logo
Publisher University College London UCL
Contributor Figshare
Publication Year 2025
Rights https://creativecommons.org/publicdomain/zero/1.0/
OpenAccess true
Contact researchdatarepository(at)ucl.ac.uk
Representation
Language English
Resource Type Dataset
Discipline Chemistry; Natural Sciences