Research Data Leeds Repository

Data associated with 'Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics'

Citation

Makhov, Dmitry and Shalashilin, Dmitrii (2019) Data associated with 'Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics'. University of Leeds. [Dataset] https://doi.org/10.5518/571¹

Dataset description

The dataset contains the spreadsheets, hi-resolution images and raw research data associated with our paper: 'Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics', Chem. Phys., 515 (2018) 46-51, DOI: https://doi.org/10.1016/j.chemphys.2018.07.048

Subjects:	F000 - Physical sciences > F100 - Chemistry > F170 - Physical chemistry2
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry3
Related resources:	Location Type https://doi.org/10.1016/j.chemphys.2018.07.0484 Publication https://eprints.whiterose.ac.uk/134683/5 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	03 Mar 2019 21:05
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/4966
Additional details Additional details Creators or authors: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Makhov, Dmitry https://orcid.org/0000-0003-1795-38207 University of Leeds https://ror.org/024mrxd33 ror University of Bristol https://doi.org/10.13039/501100000883 crossref Shalashilin, Dmitrii https://orcid.org/0000-0001-6104-12778 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: EPSRC, EPSRC, Leverhulme trust Grant numbers: EP/P021123/1, EP/N007549/1, RPG-2015-190 Publication date: 2019 Resource language: English Metadata language: English Publisher: University of Leeds Contact email: d.makhov@leeds.ac.uk9 Last Modified: 29 Oct 2024 10:57

Files

Documentation

Readme [2kB] 10 Readme [2kB] 11 Readme [2kB] 12 Security: Anyone File name: readme.txt13 Content type: Documentation Mime-Type: text/plain License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 2kB

Readme - pdf [112kB] 14 Readme - pdf [112kB] 15 Readme - pdf [112kB] 16 Security: Anyone File name: readme.pdf17 Content type: Documentation Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 112kB

Data

Figure 3 [811kB] 18 Figure 3 [811kB] 19 Figure 3 [811kB] 20 Security: Anyone File name: Fig3.tar.gz21 Content type: Data Mime-Type: application/x-gzip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 811kB

Figure 4 [80kB] 22 Figure 4 [80kB] 23 Figure 4 [80kB] 24 Security: Anyone File name: Fig4.tar.gz25 Content type: Data Mime-Type: application/x-gzip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 80kB

Trajectory 10 [1GB] 26 Trajectory 10 [1GB] 27 Trajectory 10 [1GB] 28 Security: Anyone File name: traj_10.tar.gz29 Content type: Data Mime-Type: application/x-gzip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1GB

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TKER raw data [93kB] 106 TKER raw data [93kB] 107 TKER raw data [93kB] 108 Security: Anyone File name: TKER_raw_data.tar.gz109 Content type: Data Mime-Type: application/x-gzip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 93kB

Input file for MOLPRO [8kB] 110 Input file for MOLPRO [8kB] 111 Input file for MOLPRO [8kB] 112 Security: Anyone File name: pyrol_k_2000.com113 Content type: Data License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 8kB

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