{"_buckets": {"deposit": "b60d63c1-d99f-4109-9c0a-ed5c48b2120c"}, "_deposit": {"id": "2006756", "owners": [1], "pid": {"revision_id": 0, "type": "depid", "value": "2006756"}, "status": "published"}, "_oai": {"id": "oai:u-ryukyu.repo.nii.ac.jp:02006756", "sets": ["1642837941399", "1642838406414"]}, "author_link": [], "item_1617186331708": {"attribute_name": "Title", "attribute_value_mlt": [{"subitem_1551255647225": "On Effecrive Charges of 2p\u03c0-Slater type Atomic Orbitals\u3000In \u03c0-Electron Molecular Orbital Calculations", "subitem_1551255648112": "en"}, {"subitem_1551255647225": "\u03c0\u96fb\u5b50\u5206\u5b50\u8ecc\u9053\u8a08\u7b97\u306b\u304a\u3051\u308b2p\u03c0-Slater\u578b\u539f\u5b50\u8ecc\u9053\u306e\u5b9f\u52b9\u96fb\u8377\u306b\u3064\u3044\u3066", "subitem_1551255648112": "ja"}]}, "item_1617186419668": {"attribute_name": "Creator", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Yara, Asao", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Igei, Ryokan", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "\u5c4b\u826f, \u671d\u592b", "creatorNameLang": "ja"}]}, {"creatorNames": [{"creatorName": "\u4f0a\u82b8, \u8ad2\u5bdb", "creatorNameLang": "ja"}]}]}, "item_1617186476635": {"attribute_name": "Access Rights", "attribute_value_mlt": [{"subitem_1522299639480": "open access", "subitem_1600958577026": "http://purl.org/coar/access_right/c_abf2"}]}, "item_1617186626617": {"attribute_name": "Description", "attribute_value_mlt": [{"subitem_description": "We computed the orbital energy difference between the lowest empty and the highest filled SCF LCAO molecular orbitals in benzene for various effective charge values of the basic 2P\u03c0-Slater type carbon atomic orbital, and compared the results with the value estimated by Mulliken and Roothaan through the experimental data of the benzene absorption spectra. We obtained the optimum value, 1.94, for effective charge of the basic 2p\u03c0-Slater type atomic orbital, which makes our computation value agree with the value, 0.404 a. u., estimated by Roothaan and Mulliken.", "subitem_description_type": "Other"}, {"subitem_description": "\u30d9\u30f3\u30bc\u30f3\u03c0\u96fb\u5b50\u7cfb\u306eSCF LCAO\u5206\u5b50\u8ecc\u9053\u306b\u3064\u3044\u3066,\u305d\u306e\u6700\u4f4e\u7a7a\u8ecc\u9053\u3068\u6700\u9ad8\u5145\u6e80\u8ecc\u9053\u9593\u306e\u8ecc\u9053\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u5dee\u3092\u57fa\u790e\u753b\u6570\u3068\u3057\u3066\u3068\u308b\u6240\u306e2p\u03c0-Slater\u578b\u306e\u70ad\u7d20\u539f\u5b50\u8ecc\u9053\u306e\u5b9f\u52b9\u8377\u5531\u306e\u3044\u308d\u3044\u308d\u306a\u5024\u306b\u5bfe\u3057\u3066\u8a08\u7b97\u3057\u305f\u3002\u305d\u3057\u3066,\u305d\u306e\u7d50\u679c\u3092,\u30d9\u30f3\u30bc\u30f3\u306e\u5438\u53ce\u30b9\u30da\u30af\u30c8\u30eb\u8cc7\u6599\u306b\u57fa\u3065\u3044\u3066Mulliken\u3068Roonthaan\u306b\u3088\u308a\u63a8\u5b9a\u3055\u308c\u305f\u5024\u3068\u6bd4\u8f03\u3057\u305f\u3002\u6211\u3005\u306e\u8a08\u7b97\u5024\u3092, Mulliken\u3068Roothaan\u306b\u3088\u308b\u63a8\u5b9a\u5024\u3068\u4e00\u81f4\u305b\u3057\u3081\u308b\u305f\u3081\u306b\u306f,\u57fa\u790e\u306e2p\u03c0-Slater\\n\u578b\u539f\u5b50\u8ecc\u9053\u306e\u5b9f\u52b9\u8377\u96fb\u3068\u3057\u3066, 1.94\u3068\u3044\u3046\u5024\u304b\u9069\u3059\u308b\u3068\u3044\u3046\u7d50\u679c\u3092\u5f97\u305f\u3002", "subitem_description_type": "Other"}, {"subitem_description": "\u7d00\u8981\u8ad6\u6587", "subitem_description_type": "Other"}]}, "item_1617186643794": {"attribute_name": "Publisher", "attribute_value_mlt": [{"subitem_1522300295150": "ja", "subitem_1522300316516": "\u7409\u7403\u5927\u5b66\u6587\u7406\u5b66\u90e8"}, {"subitem_1522300295150": "en", "subitem_1522300316516": "Arts and Science Division, University of the Ryukyus"}]}, "item_1617186702042": {"attribute_name": "Language", "attribute_value_mlt": [{"subitem_1551255818386": "eng"}]}, "item_1617186783814": {"attribute_name": "Identifier", "attribute_value_mlt": [{"subitem_identifier_type": "HDL", "subitem_identifier_uri": "http://hdl.handle.net/20.500.12000/22448"}]}, "item_1617186920753": {"attribute_name": "Source Identifier", "attribute_value_mlt": [{"subitem_1522646500366": "ISSN", "subitem_1522646572813": "0557-577X"}, {"subitem_1522646500366": "NCID", "subitem_1522646572813": "AN00250650"}]}, "item_1617186941041": {"attribute_name": "Source Title", "attribute_value_mlt": [{"subitem_1522650068558": "ja", "subitem_1522650091861": "\u7409\u7403\u5927\u5b66\u6587\u7406\u5b66\u90e8\u7d00\u8981 \u7406\u5b66\u7bc7"}]}, "item_1617187056579": {"attribute_name": "Bibliographic Information", "attribute_value_mlt": [{"bibliographicIssueNumber": "10", "bibliographicPageEnd": "13", "bibliographicPageStart": "7"}]}, "item_1617258105262": {"attribute_name": "Resource Type", "attribute_value_mlt": [{"resourcetype": "departmental bulletin paper", "resourceuri": "http://purl.org/coar/resource_type/c_6501"}]}, "item_1617265215918": {"attribute_name": "Version Type", "attribute_value_mlt": [{"subitem_1522305645492": "VoR", "subitem_1600292170262": "http://purl.org/coar/version/c_970fb48d4fbd8a85"}]}, "item_1617605131499": {"attribute_name": "File", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_access", "download_preview_message": "", "file_order": 0, "filename": "No10p007.pdf", "future_date_message": "", "is_thumbnail": false, "mimetype": "", "size": 0, "url": {"objectType": "fulltext", "url": "https://u-ryukyu.repo.nii.ac.jp/record/2006756/files/No10p007.pdf"}, "version_id": "94fa4b6e-a9b0-4207-a318-d96a39a98cb1"}]}, "item_title": "On Effecrive Charges of 2p\u03c0-Slater type Atomic Orbitals\u3000In \u03c0-Electron Molecular Orbital Calculations", "item_type_id": "15", "owner": "1", "path": ["1642837941399", "1642838406414"], "permalink_uri": "http://hdl.handle.net/20.500.12000/22448", "pubdate": {"attribute_name": "PubDate", "attribute_value": "2011-11-25"}, "publish_date": "2011-11-25", "publish_status": "0", "recid": "2006756", "relation": {}, "relation_version_is_last": true, "title": ["On Effecrive Charges of 2p\u03c0-Slater type Atomic Orbitals\u3000In \u03c0-Electron Molecular Orbital Calculations"], "weko_shared_id": -1}