{"created":"2023-06-20T15:28:44.054124+00:00","id":8235,"links":{},"metadata":{"_buckets":{"deposit":"0af8ce8f-b043-4cfd-9379-f198e6a3ecf3"},"_deposit":{"created_by":12,"id":"8235","owners":[12],"pid":{"revision_id":0,"type":"depid","value":"8235"},"status":"published"},"_oai":{"id":"oai:ouj.repo.nii.ac.jp:00008235","sets":["389:535"]},"author_link":["10563","10562"],"item_10001_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2007-12-03","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"235401","bibliographicVolumeNumber":"76","bibliographic_titles":[{"bibliographic_title":"Physical Review B"}]}]},"item_10001_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We have developed a simple embedded-cluster model approach to investigate adsorbate-surface systems. In our approach, the physically relevant subsystem is described as an open-quantum system by considering a model cluster subject to an outgoing-wave boundary condition at the edge. This open-boundary cluster model !OCM\" is free from artificial waves reflected at the cluster edge, and thus the adsorbate properties computed with the OCM are almost independent of the model cluster size. The exact continuous density of states !DOS\"\nof a one-dimensional periodic potential model is shown to be precisely reproduced with the OCM. The accurate DOS leads to an appropriate description of adsorbate-surface chemical bonding. Moreover, the openboundary treatment of the OCM allows us to evaluate the electron-transfer rate from the adsorbate to the surface, whereas the conventional cluster model does not give any information about such a dynamical process.","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.76.235401","subitem_relation_type_select":"DOI"}}]},"item_10001_rights_15":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"©2007 The 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":"37.pdf","filesize":[{"value":"1.0 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"Open-boundary cluster model for calculation of adsorbate-surface electronic states","url":"https://ouj.repo.nii.ac.jp/record/8235/files/37.pdf"},"version_id":"a0c7cfcc-2a93-4aaf-915c-f54643d27b89"}]},"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 for calculation of adsorbate-surface electronic states","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Open-boundary cluster model for calculation of adsorbate-surface electronic states"},{"subitem_title":"Open-boundary cluster model for calculation of adsorbate-surface electronic states","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":"8235","relation_version_is_last":true,"title":["Open-boundary cluster model for calculation of adsorbate-surface electronic states"],"weko_creator_id":"12","weko_shared_id":12},"updated":"2023-06-20T16:11:22.771166+00:00"}