{"created":"2023-06-20T15:28:43.924595+00:00","id":8232,"links":{},"metadata":{"_buckets":{"deposit":"e3497be6-db6c-4b32-a72d-9aa101055b6e"},"_deposit":{"created_by":12,"id":"8232","owners":[12],"pid":{"revision_id":0,"type":"depid","value":"8232"},"status":"published"},"_oai":{"id":"oai:ouj.repo.nii.ac.jp:00008232","sets":["389:535"]},"author_link":["10563","10562"],"item_10001_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2011-12-08","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"245408","bibliographicVolumeNumber":"84","bibliographic_titles":[{"bibliographic_title":"Physical Review B"}]}]},"item_10001_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Our recently developed open-boundary cluster model (OCM), which allows us to calculate electronic states of a semi-infinite adsorbate-surface system with a finite-small cluster, has been implemented in first-principles calculations to investigate excited states of a real system of a low-coverage Cs/Cu(111). The first-principles calculations are based on a real-space density functional theory (DFT) approach, and the Cs/Cu(111) system is reasonably represented in terms of a cluster of CsCu13 within the OCM approach. An absorption spectrum and the lifetime of excited states of the system are calculated successfully within the linear-response approximation, and the computed results qualitatively agree with experimental observations. Such excited properties are difficult to calculate by using a conventional cluster model (CCM) approach. Despite these advantages, the OCM-DFT approach requires a computational cost almost identical to the cost of CCM.","subitem_description_type":"Abstract"}]},"item_10001_relation_14":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1103/PhysRevB.84.245408","subitem_relation_type_select":"DOI"}}]},"item_10001_rights_15":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"©2011 American Physical Society"}]},"item_10001_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1098-0121","subitem_source_identifier_type":"ISSN"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"YASUIKE, Tomokazu"}],"nameIdentifiers":[{"nameIdentifier":"10562","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"NOBUSADA, Katsuyuki"}],"nameIdentifiers":[{"nameIdentifier":"10563","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2014-10-31"}],"displaytype":"detail","filename":"2011-PRB84.pdf","filesize":[{"value":"810.7 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system","url":"https://ouj.repo.nii.ac.jp/record/8232/files/2011-PRB84.pdf"},"version_id":"7e63c8d2-409a-4a2f-b384-41af650052a3"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system"},{"subitem_title":"Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system","subitem_title_language":"en"}]},"item_type_id":"10001","owner":"12","path":["535"],"pubdate":{"attribute_name":"公開日","attribute_value":"2014-10-31"},"publish_date":"2014-10-31","publish_status":"0","recid":"8232","relation_version_is_last":true,"title":["Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system"],"weko_creator_id":"12","weko_shared_id":12},"updated":"2023-06-20T16:11:31.749736+00:00"}