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. Author manuscript; available in PMC: 2022 Jun 10.
Published in final edited form as: Photochem Photobiol. 2021 Feb 13;97(2):243–269. doi: 10.1111/php.13372

Fig. 15.

Fig. 15.

Environment-induced shifts of the lowest vertical excitation energy for organic chromophores in hydrogen-bonded environments (XH-27 dataset from Ref. (144)). Reference shifts (Δϵref) are taken Ref. (144) (excitation energy shifts obtained from ADC(2) calculations for the whole clusters). FDET shifts (ΔϵFDET) are obtained from embedded ADC (2) calculations as described in Ref. (144) except the reduction of the number of centers in the basis sets used for ΨA and ρB (monomer expansion is used here).