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Computational data for the simulation of cases of the Spin Boson Model using the Multiconfigurational Ehrenfest method - dataset

Symonds, Christopher and Shalashilin, Dmitry (2019) Computational data for the simulation of cases of the Spin Boson Model using the Multiconfigurational Ehrenfest method - dataset. University of Leeds. [Dataset] https://doi.org/10.5518/570

Dataset description

This data gives input and output files for simulations carried out using the Multiconfigurational Ehrenfest method to show the importance of sampling methods such as cloning and trains, and how the use of these techniques in the "Multiple Cloning" scheme can allow the MCEv2 method to generate results which are converged to benchmark calculations where previously this was not possible. Included also is the source code of the program used to generate these data files.

Keywords: Multiconfigurational Ehrenfest, AIMC, QDD, Spin Boson
Subjects: F000 - Physical sciences > F100 - Chemistry > F170 - Physical chemistry
F000 - Physical sciences > F300 - Physics > F320 - Chemical physics
F000 - Physical sciences > F300 - Physics > F340 - Mathematical & theoretical physics > F343 - Computational physics
Divisions: Faculty of Mathematics and Physical Sciences > School of Chemistry
Faculty of Environment > School of Earth and Environment
Related resources:
LocationType
https://doi.org/10.1063/1.5020567Publication
http://eprints.whiterose.ac.uk/130648/Publication
License: Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited: 17 May 2019 15:38
URI: https://archive.researchdata.leeds.ac.uk/id/eprint/523

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