Matches in SemOpenAlex for { <https://semopenalex.org/work/W2335429788> ?p ?o ?g. }
- W2335429788 abstract "Fundamental gap renormalization due to electronic polarization is a basic phenomenon in molecular crystals. Despite its ubiquity and importance, all conventional approaches within density-functional theory completely fail to capture it, even qualitatively. Here, we present a new screened range-separated hybrid functional, which, through judicious introduction of the scalar dielectric constant, quantitatively captures polarization-induced gap renormalization, as demonstrated on the prototypical organic molecular crystals of benzene, pentacene, and C${}_{60}$. This functional is predictive, as it contains system-specific adjustable parameters that are determined from first principles, rather than from empirical considerations." @default.
- W2335429788 created "2016-06-24" @default.
- W2335429788 creator A5000868233 @default.
- W2335429788 creator A5007422862 @default.
- W2335429788 creator A5028125806 @default.
- W2335429788 creator A5044394957 @default.
- W2335429788 creator A5054788297 @default.
- W2335429788 creator A5090912115 @default.
- W2335429788 date "2013-08-30" @default.
- W2335429788 modified "2023-10-18" @default.
- W2335429788 title "Gap renormalization of molecular crystals from density-functional theory" @default.
- W2335429788 cites W1581152317 @default.
- W2335429788 cites W1756216110 @default.
- W2335429788 cites W1966810914 @default.
- W2335429788 cites W1970512969 @default.
- W2335429788 cites W1970697506 @default.
- W2335429788 cites W1973025455 @default.
- W2335429788 cites W1974415142 @default.
- W2335429788 cites W1974943505 @default.
- W2335429788 cites W1976798212 @default.
- W2335429788 cites W1979544533 @default.
- W2335429788 cites W1981368803 @default.
- W2335429788 cites W1984993415 @default.
- W2335429788 cites W1986368771 @default.
- W2335429788 cites W1986892587 @default.
- W2335429788 cites W1987198520 @default.
- W2335429788 cites W1991300868 @default.
- W2335429788 cites W1991713655 @default.
- W2335429788 cites W1994880295 @default.
- W2335429788 cites W1998495790 @default.
- W2335429788 cites W2001151924 @default.
- W2335429788 cites W2002461775 @default.
- W2335429788 cites W2004930595 @default.
- W2335429788 cites W2007395042 @default.
- W2335429788 cites W2008423326 @default.
- W2335429788 cites W2011327487 @default.
- W2335429788 cites W2014094922 @default.
- W2335429788 cites W2017425597 @default.
- W2335429788 cites W2024046694 @default.
- W2335429788 cites W2025299424 @default.
- W2335429788 cites W2028250890 @default.
- W2335429788 cites W2031462444 @default.
- W2335429788 cites W2033395398 @default.
- W2335429788 cites W2034331582 @default.
- W2335429788 cites W2034840846 @default.
- W2335429788 cites W2044128600 @default.
- W2335429788 cites W2044171903 @default.
- W2335429788 cites W2045162020 @default.
- W2335429788 cites W2045596260 @default.
- W2335429788 cites W2046027452 @default.
- W2335429788 cites W2046668457 @default.
- W2335429788 cites W2046857463 @default.
- W2335429788 cites W2047334255 @default.
- W2335429788 cites W2050678421 @default.
- W2335429788 cites W2053499780 @default.
- W2335429788 cites W2057443213 @default.
- W2335429788 cites W2058014257 @default.
- W2335429788 cites W2061070595 @default.
- W2335429788 cites W2062852634 @default.
- W2335429788 cites W2062902927 @default.
- W2335429788 cites W2067428306 @default.
- W2335429788 cites W2067710498 @default.
- W2335429788 cites W2068599464 @default.
- W2335429788 cites W2069006374 @default.
- W2335429788 cites W2071216610 @default.
- W2335429788 cites W2072383783 @default.
- W2335429788 cites W2072944362 @default.
- W2335429788 cites W2073727874 @default.
- W2335429788 cites W2075199614 @default.
- W2335429788 cites W2078722240 @default.
- W2335429788 cites W2083222334 @default.
- W2335429788 cites W2083419663 @default.
- W2335429788 cites W2083526141 @default.
- W2335429788 cites W2085093563 @default.
- W2335429788 cites W2085106153 @default.
- W2335429788 cites W2086458318 @default.
- W2335429788 cites W2098658310 @default.
- W2335429788 cites W2120145199 @default.
- W2335429788 cites W2120901082 @default.
- W2335429788 cites W2122666253 @default.
- W2335429788 cites W2124705905 @default.
- W2335429788 cites W2137906973 @default.
- W2335429788 cites W2142073169 @default.
- W2335429788 cites W2314860728 @default.
- W2335429788 cites W2323921122 @default.
- W2335429788 cites W2324829232 @default.
- W2335429788 cites W2330925777 @default.
- W2335429788 cites W2333967972 @default.
- W2335429788 cites W2594440540 @default.
- W2335429788 cites W2952298306 @default.
- W2335429788 cites W3099190235 @default.
- W2335429788 cites W3105540905 @default.
- W2335429788 cites W73164523 @default.
- W2335429788 doi "https://doi.org/10.1103/physrevb.88.081204" @default.
- W2335429788 hasPublicationYear "2013" @default.
- W2335429788 type Work @default.
- W2335429788 sameAs 2335429788 @default.
- W2335429788 citedByCount "232" @default.
- W2335429788 countsByYear W23354297882013 @default.
- W2335429788 countsByYear W23354297882014 @default.