Matches in SemOpenAlex for { <https://semopenalex.org/work/W2089578084> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2089578084 endingPage "5048" @default.
- W2089578084 startingPage "5038" @default.
- W2089578084 abstract "We report an effective potential (EP) for replacing the ten core electrons in calculations on the Si atom. This potential was obtained directly from ab initio calculations on the states of Si atom and no empirical data or adjustable parameters are used. These ab initio effective potentials are tested by carrying out Hartree-Fock, generalized-valence-bond, and extensive configuration-interaction calculations on various molecules. We considered Si, Si${mathrm{H}}_{3}$, ${mathrm{Si}}_{2}$, and ${mathrm{H}}_{3}$Si${mathrm{O}}_{2}$ and calculated excitation energies, ionization potentials, and electron affinities both using the EP and without the EP (ab initio). In essentially all cases the agreement is to better than 0.1 eV, providing strong evidence that the EP adequately represents the Si core." @default.
- W2089578084 created "2016-06-24" @default.
- W2089578084 creator A5011935661 @default.
- W2089578084 creator A5035627473 @default.
- W2089578084 creator A5055618659 @default.
- W2089578084 date "1977-05-15" @default.
- W2089578084 modified "2023-09-25" @default.
- W2089578084 title "<i>Ab initio</i>effective potentials for silicon" @default.
- W2089578084 cites W1604471546 @default.
- W2089578084 cites W1650728208 @default.
- W2089578084 cites W1966396087 @default.
- W2089578084 cites W1968392598 @default.
- W2089578084 cites W1970425525 @default.
- W2089578084 cites W1974570791 @default.
- W2089578084 cites W1977823797 @default.
- W2089578084 cites W2011379164 @default.
- W2089578084 cites W2016368697 @default.
- W2089578084 cites W2025274054 @default.
- W2089578084 cites W2039885434 @default.
- W2089578084 cites W2054538509 @default.
- W2089578084 cites W2084962527 @default.
- W2089578084 cites W2085354509 @default.
- W2089578084 cites W2090557379 @default.
- W2089578084 cites W2091987798 @default.
- W2089578084 cites W2092080986 @default.
- W2089578084 cites W2092846262 @default.
- W2089578084 cites W92260671 @default.
- W2089578084 doi "https://doi.org/10.1103/physrevb.15.5038" @default.
- W2089578084 hasPublicationYear "1977" @default.
- W2089578084 type Work @default.
- W2089578084 sameAs 2089578084 @default.
- W2089578084 citedByCount "74" @default.
- W2089578084 countsByYear W20895780842012 @default.
- W2089578084 countsByYear W20895780842013 @default.
- W2089578084 countsByYear W20895780842014 @default.
- W2089578084 countsByYear W20895780842015 @default.
- W2089578084 crossrefType "journal-article" @default.
- W2089578084 hasAuthorship W2089578084A5011935661 @default.
- W2089578084 hasAuthorship W2089578084A5035627473 @default.
- W2089578084 hasAuthorship W2089578084A5055618659 @default.
- W2089578084 hasConcept C121332964 @default.
- W2089578084 hasConcept C145148216 @default.
- W2089578084 hasConcept C147120987 @default.
- W2089578084 hasConcept C147192597 @default.
- W2089578084 hasConcept C149635348 @default.
- W2089578084 hasConcept C168900304 @default.
- W2089578084 hasConcept C183971685 @default.
- W2089578084 hasConcept C184779094 @default.
- W2089578084 hasConcept C185544564 @default.
- W2089578084 hasConcept C192562407 @default.
- W2089578084 hasConcept C198291218 @default.
- W2089578084 hasConcept C2781442258 @default.
- W2089578084 hasConcept C32909587 @default.
- W2089578084 hasConcept C36678784 @default.
- W2089578084 hasConcept C38649801 @default.
- W2089578084 hasConcept C41008148 @default.
- W2089578084 hasConcept C58312451 @default.
- W2089578084 hasConcept C62520636 @default.
- W2089578084 hasConcept C83581075 @default.
- W2089578084 hasConceptScore W2089578084C121332964 @default.
- W2089578084 hasConceptScore W2089578084C145148216 @default.
- W2089578084 hasConceptScore W2089578084C147120987 @default.
- W2089578084 hasConceptScore W2089578084C147192597 @default.
- W2089578084 hasConceptScore W2089578084C149635348 @default.
- W2089578084 hasConceptScore W2089578084C168900304 @default.
- W2089578084 hasConceptScore W2089578084C183971685 @default.
- W2089578084 hasConceptScore W2089578084C184779094 @default.
- W2089578084 hasConceptScore W2089578084C185544564 @default.
- W2089578084 hasConceptScore W2089578084C192562407 @default.
- W2089578084 hasConceptScore W2089578084C198291218 @default.
- W2089578084 hasConceptScore W2089578084C2781442258 @default.
- W2089578084 hasConceptScore W2089578084C32909587 @default.
- W2089578084 hasConceptScore W2089578084C36678784 @default.
- W2089578084 hasConceptScore W2089578084C38649801 @default.
- W2089578084 hasConceptScore W2089578084C41008148 @default.
- W2089578084 hasConceptScore W2089578084C58312451 @default.
- W2089578084 hasConceptScore W2089578084C62520636 @default.
- W2089578084 hasConceptScore W2089578084C83581075 @default.
- W2089578084 hasIssue "10" @default.
- W2089578084 hasLocation W20895780841 @default.
- W2089578084 hasOpenAccess W2089578084 @default.
- W2089578084 hasPrimaryLocation W20895780841 @default.
- W2089578084 hasRelatedWork W1602017633 @default.
- W2089578084 hasRelatedWork W1965857535 @default.
- W2089578084 hasRelatedWork W2013916474 @default.
- W2089578084 hasRelatedWork W2045567821 @default.
- W2089578084 hasRelatedWork W2062162695 @default.
- W2089578084 hasRelatedWork W2315528859 @default.
- W2089578084 hasRelatedWork W2318860360 @default.
- W2089578084 hasRelatedWork W2465933089 @default.
- W2089578084 hasRelatedWork W2605196259 @default.
- W2089578084 hasRelatedWork W2966300259 @default.
- W2089578084 hasVolume "15" @default.
- W2089578084 isParatext "false" @default.
- W2089578084 isRetracted "false" @default.
- W2089578084 magId "2089578084" @default.
- W2089578084 workType "article" @default.