FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2081130713> ?p ?o ?g. }

• W2081130713 endingPage "053301" @default.
• W2081130713 startingPage "053301" @default.
• W2081130713 abstract "The equation-of-motion coupled cluster method with full inclusion of singles and doubles (EOM-CCSD) is applied to evaluate the vertical ionization potential (VIP) of XF3(X=N,P,As). At the same time, symmetry adapted cluster configuration interaction (SAC-CI), the outer valence shell Green function (OVGF) and partial third order approximation (P3) are also employed. Comparison with results of some experiments show average errors of 0.2 eV in the whole valence shell ionization region and are better than OVGF and P3 values and similar to the SAC-CI values. With the increase of basis set, the difference of the first VIP value between the EOM-CCSD and experimental becomes smaller and the different is about 0.03 eV. According to results from SAC-CI, OVGF, P3 and EOM-CCSD of NF3 and PF3, we can conclude that the first IP of AsF3 is not 12.3 eV but about 12.8 eV, the valence shell ionization potentials are 12.64,15.23,16.30,17.37,18.05 and 21.98 eV." @default.
• W2081130713 created "2016-06-24" @default.
• W2081130713 creator A5018410320 @default.
• W2081130713 creator A5024267714 @default.
• W2081130713 creator A5033010845 @default.
• W2081130713 creator A5089986454 @default.
• W2081130713 date "2011-01-01" @default.
• W2081130713 modified "2023-10-18" @default.
• W2081130713 title "Theoretical calculation of valence shell ionization potentials of XF3(X=N, P, As) using the equation-of-motion coupled cluster method" @default.
• W2081130713 cites W138287566 @default.
• W2081130713 cites W1560012533 @default.
• W2081130713 cites W1967797015 @default.
• W2081130713 cites W1969186787 @default.
• W2081130713 cites W1969390201 @default.
• W2081130713 cites W1973328554 @default.
• W2081130713 cites W1980775452 @default.
• W2081130713 cites W1984829451 @default.
• W2081130713 cites W1988331793 @default.
• W2081130713 cites W2006947798 @default.
• W2081130713 cites W2015953519 @default.
• W2081130713 cites W2031139451 @default.
• W2081130713 cites W2032711755 @default.
• W2081130713 cites W2034517740 @default.
• W2081130713 cites W2038394569 @default.
• W2081130713 cites W2040912933 @default.
• W2081130713 cites W2044518659 @default.
• W2081130713 cites W2055507088 @default.
• W2081130713 cites W2062801122 @default.
• W2081130713 cites W2069687171 @default.
• W2081130713 cites W2069869872 @default.
• W2081130713 cites W2070025613 @default.
• W2081130713 cites W2081497997 @default.
• W2081130713 cites W2091900073 @default.
• W2081130713 cites W2094397641 @default.
• W2081130713 cites W2165769737 @default.
• W2081130713 cites W2205157518 @default.
• W2081130713 cites W2325522201 @default.
• W2081130713 cites W3118044043 @default.
• W2081130713 cites W4213287855 @default.
• W2081130713 cites W4241252252 @default.
• W2081130713 cites W922953692 @default.
• W2081130713 cites W2048743102 @default.
• W2081130713 doi "https://doi.org/10.7498/aps.60.053301" @default.
• W2081130713 hasPublicationYear "2011" @default.
• W2081130713 type Work @default.
• W2081130713 sameAs 2081130713 @default.
• W2081130713 citedByCount "0" @default.
• W2081130713 crossrefType "journal-article" @default.
• W2081130713 hasAuthorship W2081130713A5018410320 @default.
• W2081130713 hasAuthorship W2081130713A5024267714 @default.
• W2081130713 hasAuthorship W2081130713A5033010845 @default.
• W2081130713 hasAuthorship W2081130713A5089986454 @default.
• W2081130713 hasConcept C121332964 @default.
• W2081130713 hasConcept C145148216 @default.
• W2081130713 hasConcept C147120987 @default.
• W2081130713 hasConcept C147192597 @default.
• W2081130713 hasConcept C164866538 @default.
• W2081130713 hasConcept C168900304 @default.
• W2081130713 hasConcept C184779094 @default.
• W2081130713 hasConcept C19637589 @default.
• W2081130713 hasConcept C198291218 @default.
• W2081130713 hasConcept C199360897 @default.
• W2081130713 hasConcept C32909587 @default.
• W2081130713 hasConcept C38649801 @default.
• W2081130713 hasConcept C41008148 @default.
• W2081130713 hasConcept C62520636 @default.
• W2081130713 hasConcept C65956243 @default.
• W2081130713 hasConceptScore W2081130713C121332964 @default.
• W2081130713 hasConceptScore W2081130713C145148216 @default.
• W2081130713 hasConceptScore W2081130713C147120987 @default.
• W2081130713 hasConceptScore W2081130713C147192597 @default.
• W2081130713 hasConceptScore W2081130713C164866538 @default.
• W2081130713 hasConceptScore W2081130713C168900304 @default.
• W2081130713 hasConceptScore W2081130713C184779094 @default.
• W2081130713 hasConceptScore W2081130713C19637589 @default.
• W2081130713 hasConceptScore W2081130713C198291218 @default.
• W2081130713 hasConceptScore W2081130713C199360897 @default.
• W2081130713 hasConceptScore W2081130713C32909587 @default.
• W2081130713 hasConceptScore W2081130713C38649801 @default.
• W2081130713 hasConceptScore W2081130713C41008148 @default.
• W2081130713 hasConceptScore W2081130713C62520636 @default.
• W2081130713 hasConceptScore W2081130713C65956243 @default.
• W2081130713 hasIssue "5" @default.
• W2081130713 hasLocation W20811307131 @default.
• W2081130713 hasOpenAccess W2081130713 @default.
• W2081130713 hasPrimaryLocation W20811307131 @default.
• W2081130713 hasRelatedWork W1982727051 @default.
• W2081130713 hasRelatedWork W1987145285 @default.
• W2081130713 hasRelatedWork W2054864781 @default.
• W2081130713 hasRelatedWork W2066325085 @default.
• W2081130713 hasRelatedWork W2069969861 @default.
• W2081130713 hasRelatedWork W2071078824 @default.
• W2081130713 hasRelatedWork W2081130713 @default.
• W2081130713 hasRelatedWork W2093183635 @default.
• W2081130713 hasRelatedWork W2331147595 @default.
• W2081130713 hasRelatedWork W931192486 @default.
• W2081130713 hasVolume "60" @default.
• W2081130713 isParatext "false" @default.

• next