Computation of Auger Electron Spectra in Organic Molecules with Multiconfiguration Pair-Density Functional Theory
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arXiv
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| Main Authors: | Fouda, Adam E. A., Jangid, Bhavnesh, Pelimanni, Eetu, Southworth, Stephen H., Ho, Phay J., Gagliardi, Laura, Young, Linda |
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| Format: | Preprint |
| Published: |
2025
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