遇见数据集

RMT sequential ionisation input data

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Zenodo2025-08-21 更新2026-05-26 收录
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资源简介:

This tar.gz file is a compressed folder containing the rmatrixII files used to generate the input data for the sequential ionization RMT calculations, as well as the input files generated with each calculations. The full information of how to replicate the input files is in the README.txt file. Upon upload of the corrected version, it was noticed that the Ne2+ files for the CI basis set had been accidently neglected. This has now been added. Furthermore, additional information was added to the README.txt file in regards to running the calculations. There was also an issue noted in the Ne+ Hartree Fock .inp file where the number of angular momenta was set at 7 instead of 9. This has now been corrected

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Zenodo
创建时间:
2025-08-05
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