{"created":"2023-07-27T06:52:29.448953+00:00","id":46441,"links":{},"metadata":{"_buckets":{"deposit":"73754cf2-b9b5-46e5-a7c4-7072b3580c9e"},"_deposit":{"created_by":18,"id":"46441","owners":[18],"pid":{"revision_id":0,"type":"depid","value":"46441"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00046441","sets":["2812:2813:2816"]},"author_link":["113","18826"],"item_9_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-06-13","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"5p.","bibliographicVolumeNumber":"2015-04-01 - 2018-03-31","bibliographic_titles":[{"bibliographic_title":"平成29(2017)年度 科学研究費補助金 基盤研究(C) 研究成果報告書"},{"bibliographic_title":"2017 Fiscal Year Final Research Report","bibliographic_titleLang":"en"}]}]},"item_9_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{}],"nameIdentifiers":[{},{}]}]},"item_9_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"分子性結晶等ではファン・デル・ワールス（VDW）力（分散力）を精度良く評価することが物質の性質を明らかにするために必要となるが、磁性をもつ物質においても適用できる計算手法の開発を行った。当研究グループで世界に先駆けて開発したスピン密度を考慮したファン・デル・ワールススピン密度汎関数(VDW-SDF関数)の特徴を明らかにするため、酸素分子対や固体酸素の系で具体的に電子状態解析、原子構造の最適化等を行った。さらに高圧下や超強磁場下等の極限状態での酸素への応用研究、およびいくつかの系への応用研究を実施した。","subitem_description_type":"Abstract"},{"subitem_description":"It is required to evaluate accurately van der Waals’s forces (dispersion forces) in a material such as molecular crystal, for the analysis of material properties. Our group has developed a new van der Waals spin density functional first in the world, which is capable of accepting magnetic materials. To capture properties of the new functional, we practically carried out the analysis of electronic structures in a pair of oxygen molecules and in solid oxygens, and optimized the atomic structures for them. Furthermore, we performed several applications to oxygen systems under an extremum state condition, such as under high pressure or under high magnetic field, and to some other systems.","subitem_description_type":"Abstract"}]},"item_9_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"研究課題/領域番号:15K05165, 研究期間(年度):2015-04-01 - 2018-03-31","subitem_description_type":"Other"},{"subitem_description":"出典：研究課題「ファン・デル・ワールススピン密度汎関数法の開発および超高圧下と超強磁場下への応用」課題番号15K05165\n（KAKEN：科学研究費助成事業データベース（国立情報学研究所）） \n（https://kaken.nii.ac.jp/report/KAKENHI-PROJECT-15K05165/15K05165seika/）を加工して作成","subitem_description_type":"Other"}]},"item_9_description_5":{"attribute_name":"提供者所属","attribute_value_mlt":[{"subitem_description":"金沢大学理工研究域数物科学系","subitem_description_type":"Other"}]},"item_9_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00052773","subitem_identifier_reg_type":"JaLC"}]},"item_9_relation_28":{"attribute_name":"関連URI","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/search/?qm=30272941"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/search/?qm=30272941","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-15K05165/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-15K05165/","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/report/KAKENHI-PROJECT-15K05165/15K05165seika/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/report/KAKENHI-PROJECT-15K05165/15K05165seika/","subitem_relation_type_select":"URI"}}]},"item_9_version_type_25":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-04-22"}],"displaytype":"detail","filename":"SC-PR-ODA-T-kaken 2018-5p.pdf","filesize":[{"value":"420.9 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"SC-PR-ODA-T-kaken 2018-5p.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/46441/files/SC-PR-ODA-T-kaken 2018-5p.pdf"},"version_id":"7f0bf27a-ad17-40cf-8822-98a4d8fbaf82"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_title":"ファン・デル・ワールススピン密度汎関数法の開発および超高圧下と超強磁場下への応用","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"ファン・デル・ワールススピン密度汎関数法の開発および超高圧下と超強磁場下への応用"},{"subitem_title":"Development of van der Waals density functional method and application to the systems under high pressure and high external magnetic field","subitem_title_language":"en"}]},"item_type_id":"9","owner":"18","path":["2816"],"pubdate":{"attribute_name":"公開日","attribute_value":"2019-04-22"},"publish_date":"2019-04-22","publish_status":"0","recid":"46441","relation_version_is_last":true,"title":["ファン・デル・ワールススピン密度汎関数法の開発および超高圧下と超強磁場下への応用"],"weko_creator_id":"18","weko_shared_id":-1},"updated":"2023-07-27T12:56:44.779504+00:00"}