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dc.contributor.authorYagi, Tomoakien
dc.contributor.authorSato, Hirofumien
dc.contributor.alternative矢木, 智章ja
dc.contributor.alternative佐藤, 啓文ja
dc.date.accessioned2022-04-26T07:07:45Z-
dc.date.available2022-04-26T07:07:45Z-
dc.date.issued2021-03-28-
dc.identifier.urihttp://hdl.handle.net/2433/269471-
dc.description.abstractA parameter-free bridge functional is presented using a weighted density approximation (WDA). The key point of this scheme is the utilization of Baxter’s relation connecting the second-order direct correlation function (DCF) to the higher-order DCF with the density derivative. The free energy density required for the WDA is determined in a self-consistent manner using Baxter’s relation and Percus’s test particle method. This self-consistent scheme enables us to employ any type of potential model for simple liquids. The new functional is applied to calculate density distribution functions for the inhomogeneous fluids interacting via the hard-sphere, Lennard-Jones, and hard-core Yukawa potentials under an external field from a planar wall and a slit pore.en
dc.language.isoeng-
dc.publisherAIP Publishingen
dc.rightsThis article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in 'J. Chem. Phys. 154, 124113 (2021)' and may be found at https://aip.scitation.org/doi/abs/10.1063/5.0046630.en
dc.rightsThe full-text file will be made open to the public on 28 March 2022 in accordance with publisher's 'Terms and Conditions for Self-Archiving'en
dc.titleSelf-consistent construction of bridge functional based on the weighted density approximationen
dc.typejournal article-
dc.type.niitypeJournal Article-
dc.identifier.ncidAA00694991-
dc.identifier.jtitleThe Journal of Chemical Physicsen
dc.identifier.volume154-
dc.identifier.issue12-
dc.relation.doi10.1063/5.0046630-
dc.textversionpublisher-
dc.identifier.artnum124113-
dc.identifier.pmid33810648-
dcterms.accessRightsopen access-
datacite.date.available2022-03-28-
datacite.awardNumber17H03009-
datacite.awardNumber20J15602-
datacite.awardNumber.urihttps://kaken.nii.ac.jp/ja/grant/KAKENHI-PROJECT-17H03009/-
datacite.awardNumber.urihttps://kaken.nii.ac.jp/ja/grant/KAKENHI-PROJECT-20J15602/-
dc.identifier.pissn0021-9606-
dc.identifier.eissn1089-7690-
jpcoar.funderName日本学術振興会ja
jpcoar.funderName日本学術振興会ja
jpcoar.awardTitle溶液内の遷移金属錯体・クラスターの安定性とダイナミックスに関する講究ja
jpcoar.awardTitle古典密度汎関数法に基づく結晶化過程の分子理論ja
出現コレクション:学術雑誌掲載論文等

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