Matches in SemOpenAlex for { <https://semopenalex.org/work/W4295682206> ?p ?o ?g. }
- W4295682206 abstract "Semilocal density functional theory generally fails in stabilizing polarons, because of its spurious inclusion of the electron self-interaction. This work addresses the concepts of many-body and one-body self-interaction, which are found to be connected through the dielectric constant within a unified theoretical formulation. The superiority of the many-body self-interaction is demonstrated, resulting in robust polaron formation energies. In this context, an efficient semilocal scheme for polaron localization is developed." @default.
- W4295682206 created "2022-09-14" @default.
- W4295682206 creator A5013764032 @default.
- W4295682206 creator A5033544377 @default.
- W4295682206 date "2022-09-14" @default.
- W4295682206 modified "2023-10-02" @default.
- W4295682206 title "Polarons free from many-body self-interaction in density functional theory" @default.
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