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We elaborate on unconventional electronic structure methods based on geminals and their potential to advance the rapidly developing field of organic photovoltaics (OPV). Specifically, we focus on the computational advantages of geminal-based methods
Externí odkaz:
http://arxiv.org/abs/2308.16326
Autor:
Tecmer P; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, Grudziadzka 5, 87-100 Toruń, Poland., Gałyńska M; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, Grudziadzka 5, 87-100 Toruń, Poland., Szczuczko L; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, Grudziadzka 5, 87-100 Toruń, Poland., Boguslawski K; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, Grudziadzka 5, 87-100 Toruń, Poland.
Publikováno v:
The journal of physical chemistry letters [J Phys Chem Lett] 2023 Nov 09; Vol. 14 (44), pp. 9909-9917. Date of Electronic Publication: 2023 Oct 30.
