FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014812910> ?p ?o ?g. }

• W2014812910 abstract "By using the many-particle Green’s function (GF) the extension of the fragment molecular orbital (FMO) method by Kitaura et al. [Chem. Phys. Lett. 313, 701 (1999)] is proposed. It is shown that the partial summation of the cluster expansion of GF reproduces the same extrapolation formula as that of FMO. Therefore we can determine the excitation energy, the transition moment, and the linear response of a molecule from GF approximated with the FMO procedure. It is also shown that no wave function exists which is consistent to the FMO results. The perturbation expansion in which the self-consistent charge approximation defines the unperturbed state is reported. By using it the three-body effects missing in the pair approximation of FMO are analyzed and the corrections to the energy and the reduced density matrices are proposed. In contrast to the previous works these new corrections are not expressed as the addition or the subtraction of the energies of fragments. They are size extensive and require only the quantities available by the FMO calculation. The accuracy of these corrections is validated with the extended Hubbard model and the several test molecules." @default.
• W2014812910 created "2016-06-24" @default.
• W2014812910 creator A5037046022 @default.
• W2014812910 creator A5091199407 @default.
• W2014812910 date "2006-10-16" @default.
• W2014812910 modified "2023-10-17" @default.
• W2014812910 title "The extension of the fragment molecular orbital method with the many-particle Green’s function" @default.
• W2014812910 cites W1965302064 @default.
• W2014812910 cites W1972745812 @default.
• W2014812910 cites W1973333112 @default.
• W2014812910 cites W1976130849 @default.
• W2014812910 cites W1986318301 @default.
• W2014812910 cites W1986793328 @default.
• W2014812910 cites W1997823125 @default.
• W2014812910 cites W1998613783 @default.
• W2014812910 cites W2000705786 @default.
• W2014812910 cites W2002150668 @default.
• W2014812910 cites W2005270394 @default.
• W2014812910 cites W2006787354 @default.
• W2014812910 cites W2010338535 @default.
• W2014812910 cites W2013182946 @default.
• W2014812910 cites W2015926027 @default.
• W2014812910 cites W2015953519 @default.
• W2014812910 cites W2018822344 @default.
• W2014812910 cites W2023821279 @default.
• W2014812910 cites W2028302592 @default.
• W2014812910 cites W2035569458 @default.
• W2014812910 cites W2058467910 @default.
• W2014812910 cites W2062488921 @default.
• W2014812910 cites W2063270842 @default.
• W2014812910 cites W2070468097 @default.
• W2014812910 cites W2072100637 @default.
• W2014812910 cites W2080503082 @default.
• W2014812910 cites W2089363127 @default.
• W2014812910 cites W2095148640 @default.
• W2014812910 cites W2110769624 @default.
• W2014812910 cites W2113448580 @default.
• W2014812910 cites W2131260498 @default.
• W2014812910 cites W2145065557 @default.
• W2014812910 cites W2914417118 @default.
• W2014812910 cites W3099469504 @default.
• W2014812910 doi "https://doi.org/10.1063/1.2358978" @default.
• W2014812910 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17059233" @default.
• W2014812910 hasPublicationYear "2006" @default.
• W2014812910 type Work @default.
• W2014812910 sameAs 2014812910 @default.
• W2014812910 citedByCount "23" @default.
• W2014812910 countsByYear W20148129102012 @default.
• W2014812910 countsByYear W20148129102013 @default.
• W2014812910 countsByYear W20148129102014 @default.
• W2014812910 countsByYear W20148129102017 @default.
• W2014812910 countsByYear W20148129102018 @default.
• W2014812910 countsByYear W20148129102020 @default.
• W2014812910 countsByYear W20148129102021 @default.
• W2014812910 countsByYear W20148129102023 @default.
• W2014812910 crossrefType "journal-article" @default.
• W2014812910 hasAuthorship W2014812910A5037046022 @default.
• W2014812910 hasAuthorship W2014812910A5091199407 @default.
• W2014812910 hasConcept C105302883 @default.
• W2014812910 hasConcept C113603373 @default.
• W2014812910 hasConcept C121332964 @default.
• W2014812910 hasConcept C121864883 @default.
• W2014812910 hasConcept C132459708 @default.
• W2014812910 hasConcept C134306372 @default.
• W2014812910 hasConcept C139358910 @default.
• W2014812910 hasConcept C14036430 @default.
• W2014812910 hasConcept C174256460 @default.
• W2014812910 hasConcept C185592680 @default.
• W2014812910 hasConcept C19637589 @default.
• W2014812910 hasConcept C32909587 @default.
• W2014812910 hasConcept C33923547 @default.
• W2014812910 hasConcept C62520636 @default.
• W2014812910 hasConcept C78458016 @default.
• W2014812910 hasConcept C83581075 @default.
• W2014812910 hasConcept C86803240 @default.
• W2014812910 hasConceptScore W2014812910C105302883 @default.
• W2014812910 hasConceptScore W2014812910C113603373 @default.
• W2014812910 hasConceptScore W2014812910C121332964 @default.
• W2014812910 hasConceptScore W2014812910C121864883 @default.
• W2014812910 hasConceptScore W2014812910C132459708 @default.
• W2014812910 hasConceptScore W2014812910C134306372 @default.
• W2014812910 hasConceptScore W2014812910C139358910 @default.
• W2014812910 hasConceptScore W2014812910C14036430 @default.
• W2014812910 hasConceptScore W2014812910C174256460 @default.
• W2014812910 hasConceptScore W2014812910C185592680 @default.
• W2014812910 hasConceptScore W2014812910C19637589 @default.
• W2014812910 hasConceptScore W2014812910C32909587 @default.
• W2014812910 hasConceptScore W2014812910C33923547 @default.
• W2014812910 hasConceptScore W2014812910C62520636 @default.
• W2014812910 hasConceptScore W2014812910C78458016 @default.
• W2014812910 hasConceptScore W2014812910C83581075 @default.
• W2014812910 hasConceptScore W2014812910C86803240 @default.
• W2014812910 hasIssue "15" @default.
• W2014812910 hasLocation W20148129101 @default.
• W2014812910 hasLocation W20148129102 @default.
• W2014812910 hasOpenAccess W2014812910 @default.
• W2014812910 hasPrimaryLocation W20148129101 @default.
• W2014812910 hasRelatedWork W1971476684 @default.
• W2014812910 hasRelatedWork W2005611400 @default.
• W2014812910 hasRelatedWork W2057521586 @default.

• next