Matches in SemOpenAlex for { <https://semopenalex.org/work/W2269755655> ?p ?o ?g. }
- W2269755655 endingPage "614" @default.
- W2269755655 startingPage "605" @default.
- W2269755655 abstract "The performance of non-empirically tuned long-range corrected hybrid functionals for the prediction of vertical ionization potentials (IPs) and electron affinities (EAs) is assessed for a set of 24 organic acceptor molecules. Basis set-extrapolated coupled cluster singles, doubles, and perturbative triples [CCSD(T)] calculations serve as a reference for this study. Compared to standard exchange-correlation functionals, tuned long-range corrected hybrid functionals produce highly reliable results for vertical IPs and EAs, yielding mean absolute errors on par with computationally more demanding GW calculations. In particular, it is demonstrated that long-range corrected hybrid functionals serve as ideal starting points for non-self-consistent GW calculations." @default.
- W2269755655 created "2016-06-24" @default.
- W2269755655 creator A5003006287 @default.
- W2269755655 creator A5017575069 @default.
- W2269755655 creator A5046665161 @default.
- W2269755655 creator A5057094529 @default.
- W2269755655 date "2016-01-25" @default.
- W2269755655 modified "2023-10-03" @default.
- W2269755655 title "Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals" @default.
- W2269755655 cites W1615960000 @default.
- W2269755655 cites W1639815753 @default.
- W2269755655 cites W1756216110 @default.
- W2269755655 cites W1965173894 @default.
- W2269755655 cites W1966159471 @default.
- W2269755655 cites W1967632236 @default.
- W2269755655 cites W1968241508 @default.
- W2269755655 cites W1969523854 @default.
- W2269755655 cites W1972307995 @default.
- W2269755655 cites W1974943505 @default.
- W2269755655 cites W1977450122 @default.
- W2269755655 cites W1978288586 @default.
- W2269755655 cites W1981368803 @default.
- W2269755655 cites W1982170663 @default.
- W2269755655 cites W1985430119 @default.
- W2269755655 cites W1986783124 @default.
- W2269755655 cites W1987838878 @default.
- W2269755655 cites W1989474096 @default.
- W2269755655 cites W1990270507 @default.
- W2269755655 cites W1991694251 @default.
- W2269755655 cites W1992643859 @default.
- W2269755655 cites W1992985800 @default.
- W2269755655 cites W2000009216 @default.
- W2269755655 cites W2002638064 @default.
- W2269755655 cites W2003251109 @default.
- W2269755655 cites W2006499645 @default.
- W2269755655 cites W2007381121 @default.
- W2269755655 cites W2008423326 @default.
- W2269755655 cites W2009980680 @default.
- W2269755655 cites W2010790627 @default.
- W2269755655 cites W2011327487 @default.
- W2269755655 cites W2012279747 @default.
- W2269755655 cites W2014094922 @default.
- W2269755655 cites W2017629110 @default.
- W2269755655 cites W2020828451 @default.
- W2269755655 cites W2025299424 @default.
- W2269755655 cites W2030976617 @default.
- W2269755655 cites W2039875181 @default.
- W2269755655 cites W2042490355 @default.
- W2269755655 cites W2045162020 @default.
- W2269755655 cites W2046270983 @default.
- W2269755655 cites W2046992107 @default.
- W2269755655 cites W2049704162 @default.
- W2269755655 cites W2050078008 @default.
- W2269755655 cites W2050678421 @default.
- W2269755655 cites W2052108833 @default.
- W2269755655 cites W2052269441 @default.
- W2269755655 cites W2052637367 @default.
- W2269755655 cites W2054704030 @default.
- W2269755655 cites W2057443213 @default.
- W2269755655 cites W2068831925 @default.
- W2269755655 cites W2074053129 @default.
- W2269755655 cites W2075199614 @default.
- W2269755655 cites W2076936078 @default.
- W2269755655 cites W2079245444 @default.
- W2269755655 cites W2082967409 @default.
- W2269755655 cites W2085093563 @default.
- W2269755655 cites W2086458318 @default.
- W2269755655 cites W2087115484 @default.
- W2269755655 cites W2088428421 @default.
- W2269755655 cites W2090902604 @default.
- W2269755655 cites W2098658310 @default.
- W2269755655 cites W2108314918 @default.
- W2269755655 cites W2123306226 @default.
- W2269755655 cites W2136637359 @default.
- W2269755655 cites W2143534614 @default.
- W2269755655 cites W2148424525 @default.
- W2269755655 cites W2157886206 @default.
- W2269755655 cites W2162033800 @default.
- W2269755655 cites W2168703680 @default.
- W2269755655 cites W2201746659 @default.
- W2269755655 cites W2230728100 @default.
- W2269755655 cites W2258170546 @default.
- W2269755655 cites W2265921518 @default.
- W2269755655 cites W2317106007 @default.
- W2269755655 cites W2320692536 @default.
- W2269755655 cites W2322348874 @default.
- W2269755655 cites W2323921122 @default.
- W2269755655 cites W2326143493 @default.
- W2269755655 cites W2327025314 @default.
- W2269755655 cites W2329717581 @default.
- W2269755655 cites W2330925777 @default.
- W2269755655 cites W2333335030 @default.
- W2269755655 cites W2334834737 @default.
- W2269755655 cites W2335429788 @default.
- W2269755655 cites W2400808756 @default.
- W2269755655 cites W2469512782 @default.
- W2269755655 cites W3098945509 @default.
- W2269755655 cites W3105540905 @default.