FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2053669683> ?p ?o ?g. }

• W2053669683 endingPage "5994" @default.
• W2053669683 startingPage "5986" @default.
• W2053669683 abstract "Electronic and geometrical structures of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) molecules are studied using ab initio molecular orbital methods. The optimized structure of a BEDT-TTF monomer is close to the experimental one within errors of 0.02 Å and 0.5 deg in bond length and angle, respectively, except the ethylene group. Ab initio parameters such as transfer integrals and Coulomb interactions are determined from the BEDT-TTF dimer and tetramer calculations. Using model Hamiltonians with the ab initio parameters, we investigate the electronic states based on the exact diagonalization method. The results show that the ground state has antiferromagnetic correlation which is consistent with experimental results. We study the effects of long-range Coulomb interactions employing the 2-D extended Hubbard model with the Hartree–Fock approximation. It is found that the ground state shows various phases; antiferromagnetic, charge ordering, and paramagnetic ones, controlled by the long-range interactions." @default.
• W2053669683 created "2016-06-24" @default.
• W2053669683 creator A5008373276 @default.
• W2053669683 creator A5036458048 @default.
• W2053669683 creator A5049168710 @default.
• W2053669683 creator A5090989980 @default.
• W2053669683 date "1999-10-01" @default.
• W2053669683 modified "2023-09-27" @default.
• W2053669683 title "Structures and electronic phases of the bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) clusters and κ-(BEDT-TTF) salts: A theoretical study based on <i>ab initio</i> molecular orbital methods" @default.
• W2053669683 cites W120296536 @default.
• W2053669683 cites W1489570346 @default.
• W2053669683 cites W1553213807 @default.
• W2053669683 cites W1647647140 @default.
• W2053669683 cites W1866751012 @default.
• W2053669683 cites W1965522499 @default.
• W2053669683 cites W1968143512 @default.
• W2053669683 cites W1970148666 @default.
• W2053669683 cites W1976642745 @default.
• W2053669683 cites W1981529253 @default.
• W2053669683 cites W1982062565 @default.
• W2053669683 cites W1989700172 @default.
• W2053669683 cites W1991173402 @default.
• W2053669683 cites W2006554319 @default.
• W2053669683 cites W2008919109 @default.
• W2053669683 cites W2020276600 @default.
• W2053669683 cites W2022950330 @default.
• W2053669683 cites W2026469492 @default.
• W2053669683 cites W2028302592 @default.
• W2053669683 cites W2031472787 @default.
• W2053669683 cites W2032835642 @default.
• W2053669683 cites W2034867047 @default.
• W2053669683 cites W2037621200 @default.
• W2053669683 cites W2051430458 @default.
• W2053669683 cites W2063191520 @default.
• W2053669683 cites W2070393094 @default.
• W2053669683 cites W2070687051 @default.
• W2053669683 cites W2071593719 @default.
• W2053669683 cites W2085356469 @default.
• W2053669683 cites W2086788246 @default.
• W2053669683 cites W2091556450 @default.
• W2053669683 cites W2118848791 @default.
• W2053669683 cites W2419809435 @default.
• W2053669683 cites W2951275208 @default.
• W2053669683 cites W3100728415 @default.
• W2053669683 cites W3103496173 @default.
• W2053669683 cites W3122915026 @default.
• W2053669683 doi "https://doi.org/10.1063/1.479894" @default.
• W2053669683 hasPublicationYear "1999" @default.
• W2053669683 type Work @default.
• W2053669683 sameAs 2053669683 @default.
• W2053669683 citedByCount "31" @default.
• W2053669683 countsByYear W20536696832014 @default.
• W2053669683 countsByYear W20536696832015 @default.
• W2053669683 countsByYear W20536696832016 @default.
• W2053669683 countsByYear W20536696832019 @default.
• W2053669683 countsByYear W20536696832021 @default.
• W2053669683 countsByYear W20536696832022 @default.
• W2053669683 crossrefType "journal-article" @default.
• W2053669683 hasAuthorship W2053669683A5008373276 @default.
• W2053669683 hasAuthorship W2053669683A5036458048 @default.
• W2053669683 hasAuthorship W2053669683A5049168710 @default.
• W2053669683 hasAuthorship W2053669683A5090989980 @default.
• W2053669683 hasConcept C121332964 @default.
• W2053669683 hasConcept C139358910 @default.
• W2053669683 hasConcept C147597530 @default.
• W2053669683 hasConcept C155355069 @default.
• W2053669683 hasConcept C178790620 @default.
• W2053669683 hasConcept C183971685 @default.
• W2053669683 hasConcept C184779094 @default.
• W2053669683 hasConcept C185592680 @default.
• W2053669683 hasConcept C26873012 @default.
• W2053669683 hasConcept C2778421084 @default.
• W2053669683 hasConcept C2781442258 @default.
• W2053669683 hasConcept C32909587 @default.
• W2053669683 hasConcept C35052450 @default.
• W2053669683 hasConcept C41999313 @default.
• W2053669683 hasConcept C69523127 @default.
• W2053669683 hasConcept C86025842 @default.
• W2053669683 hasConceptScore W2053669683C121332964 @default.
• W2053669683 hasConceptScore W2053669683C139358910 @default.
• W2053669683 hasConceptScore W2053669683C147597530 @default.
• W2053669683 hasConceptScore W2053669683C155355069 @default.
• W2053669683 hasConceptScore W2053669683C178790620 @default.
• W2053669683 hasConceptScore W2053669683C183971685 @default.
• W2053669683 hasConceptScore W2053669683C184779094 @default.
• W2053669683 hasConceptScore W2053669683C185592680 @default.
• W2053669683 hasConceptScore W2053669683C26873012 @default.
• W2053669683 hasConceptScore W2053669683C2778421084 @default.
• W2053669683 hasConceptScore W2053669683C2781442258 @default.
• W2053669683 hasConceptScore W2053669683C32909587 @default.
• W2053669683 hasConceptScore W2053669683C35052450 @default.
• W2053669683 hasConceptScore W2053669683C41999313 @default.
• W2053669683 hasConceptScore W2053669683C69523127 @default.
• W2053669683 hasConceptScore W2053669683C86025842 @default.
• W2053669683 hasIssue "13" @default.
• W2053669683 hasLocation W20536696831 @default.
• W2053669683 hasOpenAccess W2053669683 @default.
• W2053669683 hasPrimaryLocation W20536696831 @default.

• next