{"created":"2021-03-01T05:59:41.792421+00:00","id":7245,"links":{},"metadata":{"_buckets":{"deposit":"3c9df15e-2872-4f95-b4d4-30b429aa292e"},"_deposit":{"id":"7245","owners":[],"pid":{"revision_id":0,"type":"depid","value":"7245"},"status":"published"},"_oai":{"id":"oai:kitami-it.repo.nii.ac.jp:00007245","sets":["1:87"]},"author_link":["37139","37140","37141"],"item_1646810750418":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_3_biblio_info_186":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2007-08-31","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"8","bibliographicPageEnd":"084117-7","bibliographicPageStart":"084117-1","bibliographicVolumeNumber":"127","bibliographic_titles":[{"bibliographic_title":"The Journal of Chemical Physics"}]}]},"item_3_description_184":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"A two-component relativistic theory accurately decoupling the positive and negative states of the Dirac Hamiltonian that includes magnetic perturbations is derived. The derived theory eliminates all of the odd terms originating from the nuclear attraction potential V and the first-order odd terms originating from the magnetic vector potential A, which connect the positive states to the negative states. The electronic energy obtained by the decoupling is correct to the third order with respect to A due to the  2n+1  rule. The decoupling is exact for the magnetic shielding calculation. However, the calculation of the diamagnetic property requires both the positive and negative states of the unperturbed  A=0  Hamiltonian. The derived theory is applied to the relativistic calculation of nuclear magnetic shielding tensors of HX  X=F,Cl,Br, I  systems at the Hartree-Fock level. The results indicate that such a substantially exact decoupling calculation well reproduces the four-omponent Dirac-Hartree-Fock results.","subitem_description_type":"Abstract"}]},"item_3_description_185":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"(c) 2007 American Institute of Physics.","subitem_description_type":"Other"}]},"item_3_description_194":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_3_publisher_212":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"American Institute of Physics"}]},"item_3_select_195":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"author"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Ootani, Y","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Maeda, H","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Fukui, H","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2016-11-22"}],"displaytype":"detail","filename":"JChemPhys_127_084117.pdf","filesize":[{"value":"121.2 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"JChemPhys_127_084117.pdf","url":"https://kitami-it.repo.nii.ac.jp/record/7245/files/JChemPhys_127_084117.pdf"},"version_id":"528ac4b5-7d6d-4baf-9562-cb5750e6c496"}]},"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":"Decoupling of the Dirac equation correct to the third order for the magnetic perturbation","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Decoupling of the Dirac equation correct to the third order for the magnetic perturbation","subitem_title_language":"en"}]},"item_type_id":"3","owner":"1","path":["87"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2008-01-29"},"publish_date":"2008-01-29","publish_status":"0","recid":"7245","relation_version_is_last":true,"title":["Decoupling of the Dirac equation correct to the third order for the magnetic perturbation"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2022-12-13T02:20:44.965044+00:00"}