Multiscale modeling of structural disorder and environmental effects on the ground and excited states properties of a conjugated donor–acceptor polymer in the bulk phase by Leandro R Franco, Danillo Valverde, Cleber Marchiori, Ellen Moons, Ergang Wang, C Moyses Araujo

“…The electronic structure is analyzed using state-of-the-art electronic structure methods, including optimally tuned range-separated hybrids (OT-DFT), double-hybrid functionals, and the second order algebraic diagrammatic construction (ADC(2)) method as a reference. Environmental effects are accounted for using both implicit and explicit electrostatic embedding models. …”
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