Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022111390> ?p ?o ?g. }
- W2022111390 endingPage "8528" @default.
- W2022111390 startingPage "8520" @default.
- W2022111390 abstract "It is demonstrated that the monoexcited configuration interaction matrix, constructed from the localized (or Wannier) orbitals for an one-dimensional extended system with translational symmetry can be used to define a series of finite-dimensional matrices whose lowest eigenvalues and eigenvectors converge to the lowest eigenvalues and eigenvectors of the infinite-dimensional full monoexcited configuration interaction problem. As an illustration, the developed monoexcited configuration interaction approach is applied to the π-electronic model of cyclic polyenes (annulenes) in the framework of the Pariser–Parr–Pople approximation. A standard parametrization scheme has been found to yield a value of ∼2.42 eV for the lowest singlet excitation energy of an infinite polyene, which is in good agreement with the experimental estimate of ∼2 eV." @default.
- W2022111390 created "2016-06-24" @default.
- W2022111390 creator A5001512429 @default.
- W2022111390 creator A5002334586 @default.
- W2022111390 creator A5042796579 @default.
- W2022111390 date "1991-06-15" @default.
- W2022111390 modified "2023-10-09" @default.
- W2022111390 title "A localized‐basis monoexcited configuration interaction technique for extended systems" @default.
- W2022111390 cites W1591442392 @default.
- W2022111390 cites W1964178407 @default.
- W2022111390 cites W1966994507 @default.
- W2022111390 cites W1968839961 @default.
- W2022111390 cites W1970741544 @default.
- W2022111390 cites W1973949341 @default.
- W2022111390 cites W1976744905 @default.
- W2022111390 cites W1977022514 @default.
- W2022111390 cites W1978471725 @default.
- W2022111390 cites W2002056007 @default.
- W2022111390 cites W2006416590 @default.
- W2022111390 cites W2011281748 @default.
- W2022111390 cites W2011988199 @default.
- W2022111390 cites W2023937012 @default.
- W2022111390 cites W2029887290 @default.
- W2022111390 cites W2031646830 @default.
- W2022111390 cites W2033230568 @default.
- W2022111390 cites W2035467643 @default.
- W2022111390 cites W2037807528 @default.
- W2022111390 cites W2044114999 @default.
- W2022111390 cites W2047494747 @default.
- W2022111390 cites W2057703026 @default.
- W2022111390 cites W2060267052 @default.
- W2022111390 cites W2065131296 @default.
- W2022111390 cites W2069395347 @default.
- W2022111390 cites W2077548891 @default.
- W2022111390 cites W2077778846 @default.
- W2022111390 cites W2079173967 @default.
- W2022111390 cites W2080507489 @default.
- W2022111390 cites W2125441157 @default.
- W2022111390 cites W2138441219 @default.
- W2022111390 cites W2177252302 @default.
- W2022111390 cites W4234922856 @default.
- W2022111390 cites W4238293235 @default.
- W2022111390 cites W4245157897 @default.
- W2022111390 cites W4246436892 @default.
- W2022111390 cites W4246942109 @default.
- W2022111390 cites W4250336900 @default.
- W2022111390 doi "https://doi.org/10.1063/1.460085" @default.
- W2022111390 hasPublicationYear "1991" @default.
- W2022111390 type Work @default.
- W2022111390 sameAs 2022111390 @default.
- W2022111390 citedByCount "6" @default.
- W2022111390 crossrefType "journal-article" @default.
- W2022111390 hasAuthorship W2022111390A5001512429 @default.
- W2022111390 hasAuthorship W2022111390A5002334586 @default.
- W2022111390 hasAuthorship W2022111390A5042796579 @default.
- W2022111390 hasConcept C106487976 @default.
- W2022111390 hasConcept C121332964 @default.
- W2022111390 hasConcept C12426560 @default.
- W2022111390 hasConcept C127765767 @default.
- W2022111390 hasConcept C147597530 @default.
- W2022111390 hasConcept C158693339 @default.
- W2022111390 hasConcept C178790620 @default.
- W2022111390 hasConcept C181500209 @default.
- W2022111390 hasConcept C185592680 @default.
- W2022111390 hasConcept C2524010 @default.
- W2022111390 hasConcept C2777529809 @default.
- W2022111390 hasConcept C2779594873 @default.
- W2022111390 hasConcept C33923547 @default.
- W2022111390 hasConcept C41999313 @default.
- W2022111390 hasConcept C43617362 @default.
- W2022111390 hasConcept C62520636 @default.
- W2022111390 hasConcept C83581075 @default.
- W2022111390 hasConceptScore W2022111390C106487976 @default.
- W2022111390 hasConceptScore W2022111390C121332964 @default.
- W2022111390 hasConceptScore W2022111390C12426560 @default.
- W2022111390 hasConceptScore W2022111390C127765767 @default.
- W2022111390 hasConceptScore W2022111390C147597530 @default.
- W2022111390 hasConceptScore W2022111390C158693339 @default.
- W2022111390 hasConceptScore W2022111390C178790620 @default.
- W2022111390 hasConceptScore W2022111390C181500209 @default.
- W2022111390 hasConceptScore W2022111390C185592680 @default.
- W2022111390 hasConceptScore W2022111390C2524010 @default.
- W2022111390 hasConceptScore W2022111390C2777529809 @default.
- W2022111390 hasConceptScore W2022111390C2779594873 @default.
- W2022111390 hasConceptScore W2022111390C33923547 @default.
- W2022111390 hasConceptScore W2022111390C41999313 @default.
- W2022111390 hasConceptScore W2022111390C43617362 @default.
- W2022111390 hasConceptScore W2022111390C62520636 @default.
- W2022111390 hasConceptScore W2022111390C83581075 @default.
- W2022111390 hasIssue "12" @default.
- W2022111390 hasLocation W20221113901 @default.
- W2022111390 hasOpenAccess W2022111390 @default.
- W2022111390 hasPrimaryLocation W20221113901 @default.
- W2022111390 hasRelatedWork W1966104197 @default.
- W2022111390 hasRelatedWork W1983232696 @default.
- W2022111390 hasRelatedWork W2018692113 @default.
- W2022111390 hasRelatedWork W2020956701 @default.
- W2022111390 hasRelatedWork W2022111390 @default.