The single step inverse calculations of the effective pair potentials for liquid lithium

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dc.contributor.authorDalgic, S
dc.contributor.authorDalgic, SS
dc.date.accessioned2024-06-12T11:07:43Z
dc.date.available2024-06-12T11:07:43Z
dc.date.issued2004
dc.departmentTrakya Üniversitesien_US
dc.description.abstractIt is presented the revised effective pair potentials for liquid lithium extracted from experimental structure data using the inverse method, which is based on the variational modified hypernetted-chain(VMHNC) integral equation theory of liquids. The reliability of the revised potential is supported by a comparison the neutral pseudoatom potential at several thermodynamic states. Although the single-step VMHNC inversion yields acceptable results for the characteristic features of the density dependence of the revised potentials for liquid lithium, the difference in the medium behaviour of the Li potential is a cause of concern. This discrepancy and the limitations of the approximate theories in the inverse calculations have been discussed with the possible improvements.en_US
dc.identifier.endpage874en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-5044223265en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage865en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22160
dc.identifier.volume6en_US
dc.identifier.wosWOS:000224105200017en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherNatl Inst Optoelectronicsen_US
dc.relation.ispartofJournal Of Optoelectronics And Advanced Materialsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectLiquid Lithiumen_US
dc.subjectInverse Methoden_US
dc.subjectEffective Potentialsen_US
dc.subjectVariational Modified Hypernetted Chain Theoryen_US
dc.subjectMolecular-Dynamics Simulationen_US
dc.subjectHypernetted-Chain Equationen_US
dc.subjectRare-Earth-Metalsen_US
dc.subjectAlkali-Metalsen_US
dc.subjectBridge Functionen_US
dc.subjectStructural Dataen_US
dc.subjectAlloysen_US
dc.subjectThermodynamicsen_US
dc.subjectMixturesen_US
dc.subjectModelsen_US
dc.titleThe single step inverse calculations of the effective pair potentials for liquid lithiumen_US
dc.typeArticleen_US

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