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. 2022 Feb 10;27(4):1203. doi: 10.3390/molecules27041203

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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CS. CASPT2 Dyson/(TD-)DFT-continuum orbital ratios, $R_{I J} = σ_{I} (ω) / σ_{J} (ω)$ .