{"_buckets": {"deposit": "a1cfffa5-9d74-4a3b-bcf2-dcb7d8bc9133"}, "_deposit": {"id": "7065", "owners": [], "pid": {"revision_id": 0, "type": "depid", "value": "7065"}, "status": "published"}, "_oai": {"id": "oai:nagoya.repo.nii.ac.jp:00007065"}, "item_10_biblio_info_6": {"attribute_name": "\u66f8\u8a8c\u60c5\u5831", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2006-10-21", "bibliographicIssueDateType": "Issued"}, "bibliographicPageEnd": "154101", "bibliographicPageStart": "154101", "bibliographicVolumeNumber": "125", "bibliographic_titles": [{"bibliographic_title": "JOURNAL OF CHEMICAL PHYSICS"}]}]}, "item_10_description_4": {"attribute_name": "\u6284\u9332", "attribute_value_mlt": [{"subitem_description": "By using the many-particle Green\u2019s function (GF) the extension of the fragment molecular orbital\n(FMO) method by Kitaura et al. [Chem. Phys. Lett. 313, 701 (1999)] is proposed. It is shown that\nthe partial summation of the cluster expansion of GF reproduces the same extrapolation formula as\nthat of FMO. Therefore we can determine the excitation energy, the transition moment, and the\nlinear response of a molecule from GF approximated with the FMO procedure. It is also shown that\nno wave function exists which is consistent to the FMO results. The perturbation expansion in which\nthe self-consistent charge approximation defines the unperturbed state is reported. By using it the\nthree-body effects missing in the pair approximation of FMO are analyzed and the corrections to the\nenergy and the reduced density matrices are proposed. In contrast to the previous works these new\ncorrections are not expressed as the addition or the subtraction of the energies of fragments. They\nare size extensive and require only the quantities available by the FMO calculation. The accuracy\nof these corrections is validated with the extended Hubbard model and the several test molecules.", "subitem_description_type": "Abstract"}]}, "item_10_identifier_60": {"attribute_name": "URI", "attribute_value_mlt": [{"subitem_identifier_type": "HDL", "subitem_identifier_uri": "http://hdl.handle.net/2237/8739"}]}, "item_10_publisher_32": {"attribute_name": "\u51fa\u7248\u8005", "attribute_value_mlt": [{"subitem_publisher": "American Institute of Physics"}]}, "item_10_relation_11": {"attribute_name": "DOI", "attribute_value_mlt": [{"subitem_relation_type_id": {"subitem_relation_type_id_text": "http://dx.doi.org/10.1063/1.2358978", "subitem_relation_type_select": "DOI"}}]}, "item_10_select_15": {"attribute_name": "\u8457\u8005\u7248\u30d5\u30e9\u30b0", "attribute_value_mlt": [{"subitem_select_item": "publisher"}]}, "item_10_text_14": {"attribute_name": "\u30d5\u30a9\u30fc\u30de\u30c3\u30c8", "attribute_value_mlt": [{"subitem_text_value": "application/pdf"}]}, "item_creator": {"attribute_name": "\u8457\u8005", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Yasuda, Koji"}], "nameIdentifiers": [{"nameIdentifier": "19053", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Yamaki, Daisuke"}], "nameIdentifiers": [{"nameIdentifier": "19054", "nameIdentifierScheme": "WEKO"}]}]}, "item_files": {"attribute_name": "\u30d5\u30a1\u30a4\u30eb\u60c5\u5831", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2018-02-19"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "ChemPhys_125-154101.pdf", "filesize": [{"value": "143.5 kB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_free", "mimetype": "application/pdf", "size": 143500.0, "url": {"label": "ChemPhys_125-154101.pdf", "url": "https://nagoya.repo.nii.ac.jp/record/7065/files/ChemPhys_125-154101.pdf"}, "version_id": "a83f41a7-592a-466f-86eb-e3851c5294f0"}]}, "item_language": {"attribute_name": "\u8a00\u8a9e", "attribute_value_mlt": [{"subitem_language": "eng"}]}, "item_resource_type": {"attribute_name": "\u8cc7\u6e90\u30bf\u30a4\u30d7", "attribute_value_mlt": [{"resourcetype": "journal article", "resourceuri": "http://purl.org/coar/resource_type/c_6501"}]}, "item_title": "The extension of the fragment molecular orbital method with the many-particle Green\u0027s function", "item_titles": {"attribute_name": "\u30bf\u30a4\u30c8\u30eb", "attribute_value_mlt": [{"subitem_title": "The extension of the fragment molecular orbital method with the many-particle Green\u0027s function"}]}, "item_type_id": "10", "owner": "1", "path": ["312/313/314"], "permalink_uri": "http://hdl.handle.net/2237/8739", "pubdate": {"attribute_name": "\u516c\u958b\u65e5", "attribute_value": "2007-09-06"}, "publish_date": "2007-09-06", "publish_status": "0", "recid": "7065", "relation": {}, "relation_version_is_last": true, "title": ["The extension of the fragment molecular orbital method with the many-particle Green\u0027s function"], "weko_shared_id": 3}