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Published October 29, 2023 | Version v1.0.0
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AkimovLab/Project-TC-NBRA: TC-NBRA project data and scripts

Authors/Creators

  • 1. University at Buffalo

Description

The scripts, data, and figures for the thermally-corrected neglect of back-reaction approximation (TC-NBRA) method for nonadiabatic molecular dynamics (NA-MD).

Files

AkimovLab/Project-TC-NBRA-v1.0.0.zip

Files (112.7 MB)

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md5:24b27f5d11575eef4e5f6fb74ecca4c6
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Additional details

Related works

Is supplement to
Software: https://github.com/AkimovLab/Project-TC-NBRA/tree/v1.0.0 (URL)