FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004334143> ?p ?o ?g. }

• W2004334143 endingPage "5615" @default.
• W2004334143 startingPage "5608" @default.
• W2004334143 abstract "This paper deals with the electronic structure of the Zn2 and Zn3 clusters. Independent ab initio SCF calculations are performed for the ground and excited states of Zn2, and the SCF MOs are determined for respective states. By using these MOs, CI calculations taking account of the correlation effects among 4s‐ and 4p‐like electrons are carried out. This is an improvement over previous CI calculations, which used the occupied and virtual (or improved virtual) MOs computed for the ground state, and thus disregarded the reorganization effect. The calculated excitation energies for Zn2 are 0.8–1.3 eV smaller than experiment. The inclusion of the correlation between the inner (3d‐like) and valence (4s‐ and 4p‐like) shells ameliorates the result only slightly (by 0.03–0.05 eV). The remaining discrepancy is attributed to relatively poor description of the ground state as compared with that of the excited states. Similar calculations are performed for the electronic structure of Zn3. Calculated excitation energies are compared with the absorption spectra of Zn aggregates (size unknown) in an argon matrix." @default.
• W2004334143 created "2016-06-24" @default.
• W2004334143 creator A5017713498 @default.
• W2004334143 creator A5037808440 @default.
• W2004334143 creator A5058440681 @default.
• W2004334143 date "1985-06-15" @default.
• W2004334143 modified "2023-10-18" @default.
• W2004334143 title "The excited states of Zn₂ and Zn₃. Inclusion of the correlation effects" @default.
• W2004334143 cites W1571778740 @default.
• W2004334143 cites W1964069069 @default.
• W2004334143 cites W1964382585 @default.
• W2004334143 cites W1973246315 @default.
• W2004334143 cites W1986738851 @default.
• W2004334143 cites W1991375219 @default.
• W2004334143 cites W1991728978 @default.
• W2004334143 cites W2014954737 @default.
• W2004334143 cites W2018862018 @default.
• W2004334143 cites W2037073710 @default.
• W2004334143 cites W2039838322 @default.
• W2004334143 cites W2040843702 @default.
• W2004334143 cites W2051413885 @default.
• W2004334143 cites W2060135205 @default.
• W2004334143 cites W2069234708 @default.
• W2004334143 cites W2075717706 @default.
• W2004334143 cites W2077115264 @default.
• W2004334143 cites W2078578886 @default.
• W2004334143 cites W2081533302 @default.
• W2004334143 cites W2085926794 @default.
• W2004334143 cites W2092263399 @default.
• W2004334143 cites W2095253533 @default.
• W2004334143 cites W2128341224 @default.
• W2004334143 cites W2148941593 @default.
• W2004334143 cites W2320320413 @default.
• W2004334143 doi "https://doi.org/10.1063/1.448596" @default.
• W2004334143 hasPublicationYear "1985" @default.
• W2004334143 type Work @default.
• W2004334143 sameAs 2004334143 @default.
• W2004334143 citedByCount "23" @default.
• W2004334143 countsByYear W20043341432012 @default.
• W2004334143 crossrefType "journal-article" @default.
• W2004334143 hasAuthorship W2004334143A5017713498 @default.
• W2004334143 hasAuthorship W2004334143A5037808440 @default.
• W2004334143 hasAuthorship W2004334143A5058440681 @default.
• W2004334143 hasConcept C121332964 @default.
• W2004334143 hasConcept C1276947 @default.
• W2004334143 hasConcept C147120987 @default.
• W2004334143 hasConcept C147597530 @default.
• W2004334143 hasConcept C168900304 @default.
• W2004334143 hasConcept C178790620 @default.
• W2004334143 hasConcept C181500209 @default.
• W2004334143 hasConcept C183971685 @default.
• W2004334143 hasConcept C184779094 @default.
• W2004334143 hasConcept C185592680 @default.
• W2004334143 hasConcept C2777529809 @default.
• W2004334143 hasConcept C2781442258 @default.
• W2004334143 hasConcept C32909587 @default.
• W2004334143 hasConcept C35052450 @default.
• W2004334143 hasConcept C38649801 @default.
• W2004334143 hasConcept C4839761 @default.
• W2004334143 hasConcept C62520636 @default.
• W2004334143 hasConcept C69523127 @default.
• W2004334143 hasConcept C83581075 @default.
• W2004334143 hasConcept C86025842 @default.
• W2004334143 hasConceptScore W2004334143C121332964 @default.
• W2004334143 hasConceptScore W2004334143C1276947 @default.
• W2004334143 hasConceptScore W2004334143C147120987 @default.
• W2004334143 hasConceptScore W2004334143C147597530 @default.
• W2004334143 hasConceptScore W2004334143C168900304 @default.
• W2004334143 hasConceptScore W2004334143C178790620 @default.
• W2004334143 hasConceptScore W2004334143C181500209 @default.
• W2004334143 hasConceptScore W2004334143C183971685 @default.
• W2004334143 hasConceptScore W2004334143C184779094 @default.
• W2004334143 hasConceptScore W2004334143C185592680 @default.
• W2004334143 hasConceptScore W2004334143C2777529809 @default.
• W2004334143 hasConceptScore W2004334143C2781442258 @default.
• W2004334143 hasConceptScore W2004334143C32909587 @default.
• W2004334143 hasConceptScore W2004334143C35052450 @default.
• W2004334143 hasConceptScore W2004334143C38649801 @default.
• W2004334143 hasConceptScore W2004334143C4839761 @default.
• W2004334143 hasConceptScore W2004334143C62520636 @default.
• W2004334143 hasConceptScore W2004334143C69523127 @default.
• W2004334143 hasConceptScore W2004334143C83581075 @default.
• W2004334143 hasConceptScore W2004334143C86025842 @default.
• W2004334143 hasIssue "12" @default.
• W2004334143 hasLocation W20043341431 @default.
• W2004334143 hasOpenAccess W2004334143 @default.
• W2004334143 hasPrimaryLocation W20043341431 @default.
• W2004334143 hasRelatedWork W1561159194 @default.
• W2004334143 hasRelatedWork W1986229472 @default.
• W2004334143 hasRelatedWork W1997574843 @default.
• W2004334143 hasRelatedWork W2014031306 @default.
• W2004334143 hasRelatedWork W2068941732 @default.
• W2004334143 hasRelatedWork W2076677214 @default.
• W2004334143 hasRelatedWork W2082617273 @default.
• W2004334143 hasRelatedWork W2088289103 @default.
• W2004334143 hasRelatedWork W2319366506 @default.
• W2004334143 hasRelatedWork W4205363693 @default.
• W2004334143 hasVolume "82" @default.

• next