Matches in SemOpenAlex for { <https://semopenalex.org/work/W2073256558> ?p ?o ?g. }
- W2073256558 abstract "The large overshoot in (hyper)polarizabilities of quasilinear (1D) chains calculated by applying density functional theory with conventional functionals is investigated for several 2D and 3D extended systems. These systems include arrays of molecular hydrogen chains, as well as 2D coronene-type structures and LiF in 1D, 2D, and 3D. Contrary to a recently proposed model it is found that the overshoot persists in all of these cases. A simple explanation is provided by an analysis of the field-induced charges for molecular hydrogen, which shows an excessive buildup at the chain ends regardless of where the chain is located within the 2D and 3D array." @default.
- W2073256558 created "2016-06-24" @default.
- W2073256558 creator A5002727198 @default.
- W2073256558 creator A5019818337 @default.
- W2073256558 creator A5027086608 @default.
- W2073256558 creator A5071411775 @default.
- W2073256558 date "2011-10-17" @default.
- W2073256558 modified "2023-10-16" @default.
- W2073256558 title "Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systems" @default.
- W2073256558 cites W1535106284 @default.
- W2073256558 cites W1970955985 @default.
- W2073256558 cites W1975180396 @default.
- W2073256558 cites W1979189950 @default.
- W2073256558 cites W1981784489 @default.
- W2073256558 cites W1984760558 @default.
- W2073256558 cites W1984806160 @default.
- W2073256558 cites W1988230273 @default.
- W2073256558 cites W1991713655 @default.
- W2073256558 cites W1996943850 @default.
- W2073256558 cites W2005220728 @default.
- W2073256558 cites W2008157797 @default.
- W2073256558 cites W2010679523 @default.
- W2073256558 cites W2011268540 @default.
- W2073256558 cites W2012445348 @default.
- W2073256558 cites W2017531247 @default.
- W2073256558 cites W2019550041 @default.
- W2073256558 cites W2021530728 @default.
- W2073256558 cites W2025883993 @default.
- W2073256558 cites W2034251075 @default.
- W2073256558 cites W2037588537 @default.
- W2073256558 cites W2038166012 @default.
- W2073256558 cites W2039131705 @default.
- W2073256558 cites W2044789366 @default.
- W2073256558 cites W2052576644 @default.
- W2073256558 cites W2053530156 @default.
- W2073256558 cites W2060013426 @default.
- W2073256558 cites W2060608642 @default.
- W2073256558 cites W2062852634 @default.
- W2073256558 cites W2064513193 @default.
- W2073256558 cites W2066143940 @default.
- W2073256558 cites W2066870295 @default.
- W2073256558 cites W2068831925 @default.
- W2073256558 cites W2069410555 @default.
- W2073256558 cites W2070699017 @default.
- W2073256558 cites W2072084171 @default.
- W2073256558 cites W2072405411 @default.
- W2073256558 cites W2073239315 @default.
- W2073256558 cites W2081901266 @default.
- W2073256558 cites W2087072984 @default.
- W2073256558 cites W2093732472 @default.
- W2073256558 cites W2096597423 @default.
- W2073256558 cites W2142055105 @default.
- W2073256558 cites W2162490449 @default.
- W2073256558 cites W2166051428 @default.
- W2073256558 cites W3124850545 @default.
- W2073256558 doi "https://doi.org/10.1063/1.3649945" @default.
- W2073256558 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22029291" @default.
- W2073256558 hasPublicationYear "2011" @default.
- W2073256558 type Work @default.
- W2073256558 sameAs 2073256558 @default.
- W2073256558 citedByCount "30" @default.
- W2073256558 countsByYear W20732565582012 @default.
- W2073256558 countsByYear W20732565582013 @default.
- W2073256558 countsByYear W20732565582014 @default.
- W2073256558 countsByYear W20732565582015 @default.
- W2073256558 countsByYear W20732565582016 @default.
- W2073256558 countsByYear W20732565582017 @default.
- W2073256558 countsByYear W20732565582018 @default.
- W2073256558 countsByYear W20732565582019 @default.
- W2073256558 countsByYear W20732565582021 @default.
- W2073256558 countsByYear W20732565582022 @default.
- W2073256558 countsByYear W20732565582023 @default.
- W2073256558 crossrefType "journal-article" @default.
- W2073256558 hasAuthorship W2073256558A5002727198 @default.
- W2073256558 hasAuthorship W2073256558A5019818337 @default.
- W2073256558 hasAuthorship W2073256558A5027086608 @default.
- W2073256558 hasAuthorship W2073256558A5071411775 @default.
- W2073256558 hasConcept C121332964 @default.
- W2073256558 hasConcept C121864883 @default.
- W2073256558 hasConcept C147597530 @default.
- W2073256558 hasConcept C147789679 @default.
- W2073256558 hasConcept C152365726 @default.
- W2073256558 hasConcept C185592680 @default.
- W2073256558 hasConcept C199185054 @default.
- W2073256558 hasConcept C205049153 @default.
- W2073256558 hasConcept C2776662679 @default.
- W2073256558 hasConcept C2780323453 @default.
- W2073256558 hasConcept C2993084020 @default.
- W2073256558 hasConcept C32909587 @default.
- W2073256558 hasConcept C41008148 @default.
- W2073256558 hasConcept C41999313 @default.
- W2073256558 hasConcept C512968161 @default.
- W2073256558 hasConcept C60799052 @default.
- W2073256558 hasConcept C62520636 @default.
- W2073256558 hasConcept C76155785 @default.
- W2073256558 hasConceptScore W2073256558C121332964 @default.
- W2073256558 hasConceptScore W2073256558C121864883 @default.
- W2073256558 hasConceptScore W2073256558C147597530 @default.
- W2073256558 hasConceptScore W2073256558C147789679 @default.
- W2073256558 hasConceptScore W2073256558C152365726 @default.