FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2013673362> ?p ?o ?g. }

• W2013673362 endingPage "2324" @default.
• W2013673362 startingPage "2299" @default.
• W2013673362 abstract "A practical polarization propagator method devised for the treatment of valence electron excitations in atoms and molecules is presented. This method, referred to as (second-order) algebraic-diagrammatic construction (ADC(2)), allows for a theoretical description of single and double excitations consistently through second and first order, respectively, of perturbation theory. The computational scheme is essentially an eigenvalue problem of a Hermitian secular matrix defined with respect to the space of singly and doubly excited configurations. The configuration space is smaller (more compact) than that of comparable configuration interaction (CI) expansions and the method leads to size-consistent results. The performance of the ADC(2) method is tested in exemplary applications to Ne, Ar and CO, where detailed comparison can be made with experiment and previous theoretical results. While the accuracy of the absolute excitation energies is only moderate, a very satisfactory description is obtained for the relative energies and, in particular, for the spectral intensities. Aspects related to the Thomas-Reiche-Kuhn sum rule and the equivalence of the dipole-length and dipole-velocity forms of the transition moments are discussed. Due to the relatively small computational expense and the possibility of a direct ADC(2) formulation this method should prove particularly useful in applications to large molecules." @default.
• W2013673362 created "2016-06-24" @default.
• W2013673362 creator A5014296154 @default.
• W2013673362 creator A5021664480 @default.
• W2013673362 date "1995-06-28" @default.
• W2013673362 modified "2023-10-10" @default.
• W2013673362 title "An efficient polarization propagator approach to valence electron excitation spectra" @default.
• W2013673362 cites W140394504 @default.
• W2013673362 cites W1536724259 @default.
• W2013673362 cites W1609057797 @default.
• W2013673362 cites W1619459355 @default.
• W2013673362 cites W1965206637 @default.
• W2013673362 cites W1965312453 @default.
• W2013673362 cites W1968466854 @default.
• W2013673362 cites W1969544113 @default.
• W2013673362 cites W1975708211 @default.
• W2013673362 cites W1979136897 @default.
• W2013673362 cites W1985879105 @default.
• W2013673362 cites W1989401157 @default.
• W2013673362 cites W1993018727 @default.
• W2013673362 cites W1995497075 @default.
• W2013673362 cites W2004257423 @default.
• W2013673362 cites W2012201957 @default.
• W2013673362 cites W2012251865 @default.
• W2013673362 cites W2013062445 @default.
• W2013673362 cites W2014243555 @default.
• W2013673362 cites W2014473957 @default.
• W2013673362 cites W2015155255 @default.
• W2013673362 cites W2015850030 @default.
• W2013673362 cites W2017904057 @default.
• W2013673362 cites W2018670841 @default.
• W2013673362 cites W2023144234 @default.
• W2013673362 cites W2024449455 @default.
• W2013673362 cites W2028560793 @default.
• W2013673362 cites W2029252141 @default.
• W2013673362 cites W2034745483 @default.
• W2013673362 cites W2036739712 @default.
• W2013673362 cites W2038370677 @default.
• W2013673362 cites W2041691594 @default.
• W2013673362 cites W2046637760 @default.
• W2013673362 cites W2050681856 @default.
• W2013673362 cites W2051636511 @default.
• W2013673362 cites W2060483598 @default.
• W2013673362 cites W2062340785 @default.
• W2013673362 cites W2063780524 @default.
• W2013673362 cites W2065627197 @default.
• W2013673362 cites W2066481445 @default.
• W2013673362 cites W2067446376 @default.
• W2013673362 cites W2069006374 @default.
• W2013673362 cites W2088049638 @default.
• W2013673362 cites W2089165761 @default.
• W2013673362 cites W2090697555 @default.
• W2013673362 cites W2093169410 @default.
• W2013673362 cites W2135455598 @default.
• W2013673362 cites W2151796659 @default.
• W2013673362 cites W4211073538 @default.
• W2013673362 cites W4230151690 @default.
• W2013673362 doi "https://doi.org/10.1088/0953-4075/28/12/003" @default.
• W2013673362 hasPublicationYear "1995" @default.
• W2013673362 type Work @default.
• W2013673362 sameAs 2013673362 @default.
• W2013673362 citedByCount "456" @default.
• W2013673362 countsByYear W20136733622012 @default.
• W2013673362 countsByYear W20136733622013 @default.
• W2013673362 countsByYear W20136733622014 @default.
• W2013673362 countsByYear W20136733622015 @default.
• W2013673362 countsByYear W20136733622016 @default.
• W2013673362 countsByYear W20136733622017 @default.
• W2013673362 countsByYear W20136733622018 @default.
• W2013673362 countsByYear W20136733622019 @default.
• W2013673362 countsByYear W20136733622020 @default.
• W2013673362 countsByYear W20136733622021 @default.
• W2013673362 countsByYear W20136733622022 @default.
• W2013673362 countsByYear W20136733622023 @default.
• W2013673362 crossrefType "journal-article" @default.
• W2013673362 hasAuthorship W2013673362A5014296154 @default.
• W2013673362 hasAuthorship W2013673362A5021664480 @default.
• W2013673362 hasConcept C104416048 @default.
• W2013673362 hasConcept C121332964 @default.
• W2013673362 hasConcept C147120987 @default.
• W2013673362 hasConcept C158693339 @default.
• W2013673362 hasConcept C173523689 @default.
• W2013673362 hasConcept C181500209 @default.
• W2013673362 hasConcept C184779094 @default.
• W2013673362 hasConcept C3079626 @default.
• W2013673362 hasConcept C62520636 @default.
• W2013673362 hasConcept C83581075 @default.
• W2013673362 hasConceptScore W2013673362C104416048 @default.
• W2013673362 hasConceptScore W2013673362C121332964 @default.
• W2013673362 hasConceptScore W2013673362C147120987 @default.
• W2013673362 hasConceptScore W2013673362C158693339 @default.
• W2013673362 hasConceptScore W2013673362C173523689 @default.
• W2013673362 hasConceptScore W2013673362C181500209 @default.
• W2013673362 hasConceptScore W2013673362C184779094 @default.
• W2013673362 hasConceptScore W2013673362C3079626 @default.
• W2013673362 hasConceptScore W2013673362C62520636 @default.
• W2013673362 hasConceptScore W2013673362C83581075 @default.
• W2013673362 hasIssue "12" @default.

• next