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Skomorowski, Wojciech, 2026, "Research data illustrating calculations of Auger decay rates using Gaussian-based continuum orbital", https://doi.org/10.58132/82K1ZV, Dane Badawcze UW, V1
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This repository contains the complete dataset generated during the study available in [1].
We provide the full set of Q-Chem input/output files produced during the computational study. These files constitute the primary raw data from which the numerical results reported in the manuscript were derived.
For further details, please consult the readme.txt file.
[1] Accurate representation of the continuum orbital in a Gaussian basis set: application to Auger decay rates, D. Mahato, S. Roy, W. Skomorowski arXiv:2611.04202 (2026)
Auger electron, theoretical spectroscopy, coupled-cluster theory
Accurate representation of the continuum orbital in a Gaussian basis set: application to Auger decay rates, D. Mahato, S. Roy, W. Skomorowski arXiv:2611.04202 (2026) https://doi.org/10.48550/arXiv.2611.04202 doi: 10.48550/arXiv.2611.04202
CC BY - Creative Commons Attribution 4.0
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