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. 2021 Aug 23;155(8):084801. doi: 10.1063/5.0055522

FIG. 24.

FIG. 24.

Solvatochromic shifts in the lowest 1ππ* state for derivatives of nitrobenzene (PhNO2) in different solvents, comparing experimental values to those computed at the ADC(2) level using the ptSS-PCM approach.538 The PTE, PTD, and PTD* variants represent slightly different ways of treating the correlated excited-state density.501,539 Adapted with permission from Mewes et al., J. Phys. Chem. A 119, 5446 (2015). Copyright 2015 American Chemical Society.