{"created":"2023-07-27T06:50:55.888936+00:00","id":44125,"links":{},"metadata":{"_buckets":{"deposit":"915eb0ea-8591-4a36-a0b8-438f4001a6bb"},"_deposit":{"created_by":18,"id":"44125","owners":[18],"pid":{"revision_id":0,"type":"depid","value":"44125"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00044125","sets":["934:935:937"]},"author_link":["73913","1103"],"item_4_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-03-14","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"10","bibliographicPageStart":"102333","bibliographicVolumeNumber":"148","bibliographic_titles":[{"bibliographic_title":"Journal of Chemical Physics"}]}]},"item_4_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"三浦, 伸一"}],"nameIdentifiers":[{}]}]},"item_4_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"In this paper, the ground state of para-hydrogen clusters for size regime N ≤ 40 has been studied by our variational path integral molecular dynamics method. Long molecular dynamics calculations have been performed to accurately evaluate ground state properties. The chemical potential of the hydrogen molecule is found to have a zigzag size dependence, indicating the magic number stability for the clusters of the size N = 13, 26, 29, 34, and 39. One-body density of the hydrogen molecule is demonstrated to have a structured profile, not a melted one. The observed magic number stability is examined using the inherent structure analysis. We also have developed a novel method combining our variational path integral hybrid Monte Carlo method with the replica exchange technique. We introduce replicas of the original system bridging from the structured to the melted cluster, which is realized by scaling the potential energy of the system. Using the enhanced sampling method, the clusters are demonstrated to have the structured density profile in the ground state. © 2018 Author(s).","subitem_description_type":"Abstract"}]},"item_4_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"Embargo Periods 12 Months","subitem_description_type":"Other"}]},"item_4_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_4_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00050467","subitem_identifier_reg_type":"JaLC"}]},"item_4_publisher_17":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"American Institute of Physics Inc."}]},"item_4_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isIdenticalTo","subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1063/1.5005126","subitem_relation_type_select":"DOI"}}]},"item_4_rights_23":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright © 2018 Author(s)"}]},"item_4_source_id_11":{"attribute_name":"NCID","attribute_value_mlt":[{"subitem_source_identifier":"AA00694991","subitem_source_identifier_type":"NCID"}]},"item_4_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0021-9606","subitem_source_identifier_type":"ISSN"}]},"item_4_version_type_25":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Miura, Shinichi"}],"nameIdentifiers":[{},{},{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-03-15"}],"displaytype":"detail","filename":"SC-PR-MIURA-S-102333.pdf","filesize":[{"value":"803.5 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"SC-PR-MIURA-S-102333.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/44125/files/SC-PR-MIURA-S-102333.pdf"},"version_id":"43b82f2c-60b3-46d3-8f8d-8901870cdc52"}]},"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":"Quantum structural fluctuation in para -hydrogen clusters revealed by the variational path integral method","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Quantum structural fluctuation in para -hydrogen clusters revealed by the variational path integral method"}]},"item_type_id":"4","owner":"18","path":["937"],"pubdate":{"attribute_name":"公開日","attribute_value":"2018-04-05"},"publish_date":"2018-04-05","publish_status":"0","recid":"44125","relation_version_is_last":true,"title":["Quantum structural fluctuation in para -hydrogen clusters revealed by the variational path integral method"],"weko_creator_id":"18","weko_shared_id":-1},"updated":"2023-07-27T17:36:34.093793+00:00"}