遇见数据集

RMT Sequential Output Data Ne^(2+) plus density matrix script (Hartree Fock Basis)

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Zenodo2026-03-26 更新2026-05-26 收录
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This dataset contains the output of the RMT sequential ionization RMT calculations for Ne2+ using the Hartree Fock Basis set, as well as the codes used to generate and propagate a density matrix from these results. Full information on how to run these calculations is available in the README.txt file. This upload has been updated as the densMat.py file attached to the previous version was found to be the incorrect version. This upload originally also contained the calculation data for Ne+, however it has been moved to a separate zenodo upload due to file size constraints. The Ne+ calculation data can be found at the following DOI: 10.5281/zenodo.19206620

提供机构:
Zenodo
创建时间:
2025-09-22
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