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In this paper, we develop a theoretical framework for the analysis and decomposition of absorption spectra of molecular dimers with coupled Frenkel exciton (FE) and charge-transfer states, including solvent-induced stabilization of zwitterionic configurations within a unified adiabatic-state formalism. Our analysis reveals that exciton\u2013CT mixing strongly reorganizes the electronic absorption profile and produces pronounced spectral broadening, while leaving the first spectral moment essentially unaffected. Numerical calculations show that the dominant mechanism of CT-induced broadening originates primarily from additional energetic splitting between spectral components rather than from broadening of the individual bands themselves. The electronic model is further extended to include coupling to high-frequency intramolecular vibrations and low-frequency environmental degrees of freedom, providing a practical framework for interpretation of realistic experimental spectra. The developed formalism is applied to the absorption spectrum of a covalently linked 9,10-bis(phenylethynyl)anthracene dimer in dichloromethane, where spectral decomposition reveals a predominantly excitonic low-energy doublet and higher-energy states with substantial CT character. The proposed approach offers a physically transparent framework for the analysis of complex absorption spectra in molecular aggregates and organic electronic materials with coupled excitonic and CT states.<\/jats:p>","DOI":"10.1021\/acs.jpcb.6c03880","type":"journal-article","created":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T15:02:17Z","timestamp":1788966137000},"page":"9964-9980","source":"Crossref","is-referenced-by-count":0,"title":["Excitonic and Charge-Transfer\nContributions to Molecular\nDimer Absorption: A Decomposition Approach Applied to a BPEA Dimer"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5020-8211","authenticated-orcid":true,"given":"Serguei V.","family":"Feskov","sequence":"first","affiliation":[{"name":"Volgograd State University , ,","place":["Volgograd, Russia, 400062"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ivan F.","family":"Antipov","sequence":"additional","affiliation":[{"name":"Volgograd State University , ,","place":["Volgograd, Russia, 400062"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4420-5863","authenticated-orcid":true,"given":"Anatoly I.","family":"Ivanov","sequence":"additional","affiliation":[{"name":"Volgograd State University , ,","place":["Volgograd, Russia, 400062"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,9]]},"reference":[{"key":"2026092408094546200_cit1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.201700236","article-title":"Exciton Transport\nin Molecular Aggregates - From Natural Antennas to Synthetic Chromophore\nSystems","volume":"7","author":"Brixner","year":"2017","journal-title":"Adv. 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