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R-matrix approach data supporting "Influence of vibrational motion and temperature on Interatomic Coulombic electron capture"

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DataCite Commons2025-07-07 更新2025-09-08 收录
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https://figshare.com/articles/dataset/R-matrix_approach_data_supporting_Influence_of_vibrational_motion_and_temperature_on_Interatomic_Coulombic_electron_capture_/28883423/1
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This item contains all the R-matrix approach data supporting a manuscript with a title "Influence of vibrational motion and temperature on Interatomic Coulombic electron capture". The files R-matrix.R_eq.* contain the fixed-nuclei R-matrix cross sections at R_e, i.e., for the equilibrium distance of the initial electronic state. The files b-b.av.spectrum.* and b-c.av.spectrum.* contain the bound-bound and bound-dissociative transitions, respectively. The files vi.spectra.compare.py and vi.reflection.spectra.compare.py contain Python scripts used to generate the figures in the manuscript. They also require data from the analytical model published in a related item. The electronic state descriptors are related to the ones used in the manuscript as follows: 1A1 = X, 1B1 = A, 2A1 = B.<br><br>
提供机构:
figshare
创建时间:
2025-07-07
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