FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1981784489> ?p ?o ?g. }

• W1981784489 endingPage "1053" @default.
• W1981784489 startingPage "1044" @default.
• W1981784489 abstract "We provide a successful approach towards the solution of the longstanding problem of the large overestimation of the static polarizability of conjugated oligomers obtained using the local density approximation within density-functional theory. The local approximation is unable to describe the highly nonlocal exchange and correlation effects found in these quasi-one-dimensional systems. Time-dependent current-density-functional theory enables us to describe ultranonlocal exchange-correlation effects within a local current description. Recently a brief account was given of the application of the Vignale–Kohn current-functional [G. Vignale and W. Kohn, Phys. Rev. Lett. 77, 2037 (1996)] to the axial polarizability of oligomer chains [M. van Faassen, P. L. de Boeij, R. van Leeuwen, J. A. Berger, and J. G. Snijders, Phys. Rev. Lett. 88, 186401 (2002)]. With the exception of the model hydrogen chain, our results were in excellent agreement with best available wavefunction methods. In the present work we further outline the underlying theory and describe how the Vignale–Kohn functional was implemented. We elaborate on earlier results and present new results for the oligomers of polyethylene, polysilane, polysilene, polymethineimine, and polybutatriene. The adiabatic local density approximation gave good results for polyethylene, which were slightly modified by the Vignale–Kohn functional. In all other cases the Vignale–Kohn functional gave large improvements upon the adiabatic local density approximation. The Vignale–Kohn results were in agreement with best available data from wave function methods. We further analyze the hydrogen chain model for different bond length alternations. In all these cases the Vignale–Kohn correction upon the adiabatic local density approximation was too small. Arguments are given that further improvements of the functional are needed." @default.
• W1981784489 created "2016-06-24" @default.
• W1981784489 creator A5006348044 @default.
• W1981784489 creator A5017413616 @default.
• W1981784489 creator A5054277165 @default.
• W1981784489 creator A5056166010 @default.
• W1981784489 creator A5074977138 @default.
• W1981784489 date "2003-01-06" @default.
• W1981784489 modified "2023-09-23" @default.
• W1981784489 title "Application of time-dependent current-density-functional theory to nonlocal exchange-correlation effects in polymers" @default.
• W1981784489 cites W1970182133 @default.
• W1981784489 cites W1971324236 @default.
• W1981784489 cites W1976486532 @default.
• W1981784489 cites W1982042487 @default.
• W1981784489 cites W1984806160 @default.
• W1981784489 cites W1985402051 @default.
• W1981784489 cites W1988107301 @default.
• W1981784489 cites W1988187231 @default.
• W1981784489 cites W1989412194 @default.
• W1981784489 cites W1990688759 @default.
• W1981784489 cites W1993774897 @default.
• W1981784489 cites W1999799320 @default.
• W1981784489 cites W2001776153 @default.
• W1981784489 cites W2008853492 @default.
• W1981784489 cites W2019550041 @default.
• W1981784489 cites W2020114693 @default.
• W1981784489 cites W2023277675 @default.
• W1981784489 cites W2027587769 @default.
• W1981784489 cites W2038533471 @default.
• W1981784489 cites W2039853765 @default.
• W1981784489 cites W2040897337 @default.
• W1981784489 cites W2042847534 @default.
• W1981784489 cites W2048665124 @default.
• W1981784489 cites W2049736191 @default.
• W1981784489 cites W2050737211 @default.
• W1981784489 cites W2055230539 @default.
• W1981784489 cites W2056238079 @default.
• W1981784489 cites W2058398316 @default.
• W1981784489 cites W2059201180 @default.
• W1981784489 cites W2066736396 @default.
• W1981784489 cites W2069410555 @default.
• W1981784489 cites W2070235865 @default.
• W1981784489 cites W2074950413 @default.
• W1981784489 cites W2075989515 @default.
• W1981784489 cites W2077000263 @default.
• W1981784489 cites W2080760842 @default.
• W1981784489 cites W2080827687 @default.
• W1981784489 cites W2085071726 @default.
• W1981784489 cites W2088744738 @default.
• W1981784489 cites W2091069063 @default.
• W1981784489 cites W2091467952 @default.
• W1981784489 cites W2097805296 @default.
• W1981784489 cites W2110508988 @default.
• W1981784489 cites W2122154840 @default.
• W1981784489 cites W2129321824 @default.
• W1981784489 cites W2143222530 @default.
• W1981784489 cites W2147403232 @default.
• W1981784489 cites W2151895170 @default.
• W1981784489 cites W2162490449 @default.
• W1981784489 cites W2170965057 @default.
• W1981784489 cites W2392256238 @default.
• W1981784489 cites W3144642009 @default.
• W1981784489 cites W4255589953 @default.
• W1981784489 cites W73583073 @default.
• W1981784489 doi "https://doi.org/10.1063/1.1529679" @default.
• W1981784489 hasPublicationYear "2003" @default.
• W1981784489 type Work @default.
• W1981784489 sameAs 1981784489 @default.
• W1981784489 citedByCount "103" @default.
• W1981784489 countsByYear W19817844892012 @default.
• W1981784489 countsByYear W19817844892013 @default.
• W1981784489 countsByYear W19817844892014 @default.
• W1981784489 countsByYear W19817844892015 @default.
• W1981784489 countsByYear W19817844892016 @default.
• W1981784489 countsByYear W19817844892017 @default.
• W1981784489 countsByYear W19817844892018 @default.
• W1981784489 countsByYear W19817844892019 @default.
• W1981784489 countsByYear W19817844892020 @default.
• W1981784489 countsByYear W19817844892021 @default.
• W1981784489 countsByYear W19817844892023 @default.
• W1981784489 crossrefType "journal-article" @default.
• W1981784489 hasAuthorship W1981784489A5006348044 @default.
• W1981784489 hasAuthorship W1981784489A5017413616 @default.
• W1981784489 hasAuthorship W1981784489A5054277165 @default.
• W1981784489 hasAuthorship W1981784489A5056166010 @default.
• W1981784489 hasAuthorship W1981784489A5074977138 @default.
• W1981784489 hasBestOaLocation W19817844892 @default.
• W1981784489 hasConcept C109663097 @default.
• W1981784489 hasConcept C113603373 @default.
• W1981784489 hasConcept C121332964 @default.
• W1981784489 hasConcept C121864883 @default.
• W1981784489 hasConcept C139287275 @default.
• W1981784489 hasConcept C147597530 @default.
• W1981784489 hasConcept C148043351 @default.
• W1981784489 hasConcept C152365726 @default.
• W1981784489 hasConcept C185592680 @default.
• W1981784489 hasConcept C20853536 @default.
• W1981784489 hasConcept C22693506 @default.

• next