{"id":1099,"date":"2011-11-14T16:55:15","date_gmt":"2011-11-14T07:55:15","guid":{"rendered":"http:\/\/www.qcri.or.jp\/lab\/?page_id=1099"},"modified":"2011-11-18T14:01:48","modified_gmt":"2011-11-18T05:01:48","slug":"re_electron","status":"publish","type":"page","link":"https:\/\/qcri.or.jp\/lab\/ja\/research_ja\/re_electron","title":{"rendered":"\u7406\u8ad6\u7cbe\u5bc6\u30b9\u30da\u30af\u30c8\u30ed\u30b9\u30b3\u30d4\u30fc"},"content":{"rendered":"<h3>\u7406\u8ad6\u7cbe\u5bc6\u30b9\u30da\u30af\u30c8\u30ed\u30b9\u30b3\u30d4\u30fc<\/h3>\n<div id=\"paragraph\">\n<div>\u3000\u4e0b\u56f31\u306f\u3001\u4e00\u9178\u5316\u70ad\u7d20\u5206\u5b50(CO)\u306e\u30a4\u30aa\u30f3\u5316\u30b9\u30da\u30af\u30c8\u30eb\u306e\u5b9f\u9a13\u3068SAC-CI\u306e\u7d50\u679c\u3092\u6bd4\u8f03\u3057\u305f\u3082\u306e\u3067\u3059\u3002 \u9ad8\u7cbe\u5ea6\u306a\u5b9f\u9a13\u306b\u3088\u308a\u5f97\u3089\u308c\u305f\u7d50\u679c\u3068\u898b\u9593\u9055\u3048\u304b\u306d\u306a\u3044\u3088\u3046\u306a\u3001 \u7cbe\u5bc6\u306a\u7406\u8ad6\u30b9\u30da\u30af\u30c8\u30eb\u3092\u5f97\u308b\u3053\u3068\u304c\u53ef\u80fd\u306b\u306a\u308a\u3001\u52b1\u8d77\u72b6\u614b\u306e\u8a73\u3057\u3044\u60c5\u5831\u304c\u5f97\u3089\u308c\u308b\u3088\u3046\u306b\u306a\u308a\u307e\u3057\u305f\u3002 \u3055\u3089\u306b\u3001\u52b1\u8d77\u72b6\u614b\u306e\u69cb\u9020\u3082\u6b63\u78ba\u306b\u4e88\u8a00\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002 \u4fa1\u96fb\u5b50\u72b6\u614b\u3060\u3051\u3067\u306a\u304f\u3001\u5185\u6bbb\u96fb\u5b50\u306e\u52b1\u8d77\u3084\u30a4\u30aa\u30f3\u5316\u3001\u30e9\u30b8\u30ab\u30eb\u3068\u305d\u306eESR\u30b9\u30da\u30af\u30c8\u30eb\u306a\u3069\u5e83\u3044\u5fdc\u7528\u304c\u53ef\u80fd\u3067\u3059\u3002<\/div>\n<div>&nbsp;<\/div>\n<table>\n<tbody>\n<tr valign=\"bottom\">\n<th class=\"mceSelected\" width=\"210\"><img decoding=\"async\" src=\"https:\/\/qcri.or.jp\/lab\/imgs\/CO_spct.png\" alt=\"CO XPS spectrum\" width=\"75%\" height=\"75%\" \/><\/th>\n<th class=\"mceSelected\" width=\"210\"><img decoding=\"async\" src=\"https:\/\/qcri.or.jp\/lab\/imgs\/furan_spct.png\" alt=\"Furan VUV spectrum\" width=\"75%\" height=\"75%\" \/><\/th>\n<th width=\"210\"><img decoding=\"async\" src=\"https:\/\/qcri.or.jp\/lab\/imgs\/hfsc.png\" alt=\"fine-spectra\" width=\"75%\" height=\"75%\" \/><\/th>\n<\/tr>\n<tr>\n<\/tr>\n<tr valign=\"top\">\n<th width=\"33%\" align=\"left\"> \u56f31:<br \/> \u4e00\u9178\u5316\u70ad\u7d20\u5206\u5b50\u306e\u30a4\u30aa\u30f3\u5316\u30b9\u30da\u30af\u30c8\u30eb\u3068SAC-CI\u306b\u3088\u308b\u7406\u8ad6\u30b9\u30da\u30af\u30c8\u30eb<\/th>\n<th width=\"33%\" align=\"left\"> \u56f32:<br \/> \u30d5\u30e9\u30f3\u5206\u5b50\u306eVUV\u30b9\u30da\u30af\u30c8\u30eb\u3068SAC-CI\u306b\u3088\u308b\u7406\u8ad6\u30b9\u30da\u30af\u30c8\u30eb<\/th>\n<th width=\"33%\" align=\"left\"> \u56f33: <br \/>\u6709\u6a5f\u5316\u5408\u7269\u30e9\u30b8\u30ab\u30eb\u7a2e\u306e\u8d85\u5fae\u7d30\u7d50\u5408\u5b9a\u6570\u306e\u5b9f\u9a13\u5024\u3068SAC-CI\u306b\u3088\u308b\u7406\u8ad6\u5024\u306e\u6bd4\u8f03<\/th>\n<\/tr>\n<tr>\n<\/tr>\n<\/tbody>\n<\/table>\n<div>\u3000\u56f32\u306f\u3001\u30d5\u30e9\u30f3\u5206\u5b50\u306e\u771f\u7a7a\u7d2b\u5916\u7dda\u5206\u5149\u6cd5(vacuum ultraviolet: VUV-spectroscopy)\u306b\u3088\u308a\u5f97\u3089\u308c\u305f\u5b9f\u9a13\u30b9\u30da\u30af\u30c8\u30eb\u3068 SAC-CI\u306e\u7d50\u679c\u3092\u6bd4\u8f03\u3057\u305f\u3082\u306e\u3067\u3059\u3002\u89b3\u6e2c\u3055\u308c\u305f\u30d4\u30fc\u30af\u4e2d\u306b\u306f\u3001\u4fa1\u96fb\u5b50\u52b1\u8d77\u72b6\u614b\u3084\u3001\u30ea\u30c9\u30d9\u30eb\u30b0\u52b1\u8d77\u72b6\u614b\u3001 \u3055\u3089\u306b\u4e21\u8005\u304c\u5f37\u304f\u6df7\u5408\u3057\u305f\u72b6\u614b\u304c\u3042\u308b\u3053\u3068\u304cSAC-CI\u8a08\u7b97\u304b\u3089\u5206\u304b\u307e\u3059\u3002 SAC-CI\u6cd5\u306b\u3088\u308a\u3001\u30b9\u30da\u30af\u30c8\u30eb\u306e\u7cbe\u5bc6\u306a\u5e30\u5c5e\u304c\u53ef\u80fd\u3068\u306a\u308a\u307e\u3057\u305f\u3002<\/div>\n<div>&nbsp;<\/div>\n<div>\u3000SAC-CI\u6cd5\u306e\u5206\u5149\u5b66\u3078\u306e\u5fdc\u7528\u306f\u5e45\u5e83\u304f\u3001\u5149\u96fb\u5b50\u5206\u5149(Photoelectron spectroscopy)\u3001 \u3084VUV, UV-Vis spectroscopy\u3001\u306b\u52a0\u3048\u3001 \u96fb\u5b50\u30a8\u30cd\u30eb\u30ae\u30fc\u640d\u5931\u5206\u5149\u6cd5(electron energy-loss: EEL spectroscopy)\u3001 \u5186\u4e8c\u8272\u6027\u5206\u5149(circular dichroism: CD spectroscopy)\u3001 \u7b49\u306e\u5e30\u5c5e\u3068\u89e3\u6790\u306b\u5a01\u529b\u3092\u767a\u63ee\u3057\u3066\u3044\u307e\u3059\u3002<\/div>\n<div>&nbsp;<\/div>\n<div>\u3000\u3055\u3089\u306b\u3001SAC-CI\u6cd5\u306f\u3001\u30e9\u30b8\u30ab\u30eb\u7a2e\u306e\u30b9\u30d4\u30f3\u5bc6\u5ea6\u3092\u975e\u5e38\u306b\u7cbe\u5ea6\u826f\u304f\u8a08\u7b97\u3067\u304d\u307e\u3059\u3002 \u305d\u306e\u305f\u3081\u3001\u4f8b\u3048\u3070\u96fb\u5b50\u30b9\u30d4\u30f3\u5171\u9cf4\u5206\u5149(ESR spectroscopy)\u306e\u8d85\u5fae\u7d30\u7d50\u5408\u5b9a\u6570(Hyperfine spliting constant) \u3092\u3001\u7cbe\u5ea6\u826f\u304f\u8a08\u7b97\u3067\u304d\u307e\u3059\u3002\u56f33\u306f\u3001\u69d8\u3005\u306a\u6709\u6a5f\u30e9\u30b8\u30ab\u30eb\u7a2e\u306e\u8d85\u5fae\u7d30\u7d50\u5408\u5b9a\u6570\u306e\u89b3\u6e2c\u5024\u3068\u3001SAC-CI\u306e \u8a08\u7b97\u7d50\u679c\u3092\u6bd4\u8f03\u3057\u305f\u3082\u306e\u3067\u3059\u3002\u56f3\u306e\u5bfe\u89d2\u7dda\u304c\u3001\u7406\u8ad6\u3068\u5b9f\u9a13\u306e\u4e00\u81f4\u3092\u793a\u3057\u307e\u3059\u304c\u3001 \u69d8\u3005\u306a\u6838\u7a2e\u306b\u5bfe\u3057\u3001\u7406\u8ad6\u3068\u5b9f\u9a13\u306f\u975e\u5e38\u306b\u3088\u3044\u76f8\u95a2\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002<\/div>\n<div>&nbsp;<\/div>\n<hr \/>\n<div id=\"reference\"><strong>References<\/strong><\/div>\n<ul>\n<li>Symmetry-Resolved Vibrational Spectra of Carbon K-shell Photoelectron Satellites  in Carbon Monoxide: Experiment and Theory,  K. Ueda, M. Hoshino, T. Tanaka, M. Kitajima, H. Tanaka, A. De Fanis,  Y. Tamenori, M. Ehara, F. Oyagi, K. Kuramoto, H. Nakatsuji, Phys. Rev. Lett., 94, 243004 1-4 (2005).<\/li>\n<li>C1s and O1s photoelectron satellite spectra of CO with the symmetry-dependent vibrational excitations,  M. Ehara, K. Kuramoto, H. Nakatsuji, M. Hoshino, T. Tanaka, M. Kitajima, H. Tanaka,  Y. Tamenori, A. De Fanis, K. Ueda, J. Chem. Phys. 125, 114304-1-10 (2006).<\/li>\n<li>Electronic Circular Dichroism Spectrum of Uridine Studied by the SAC-CI method,  S. Bureekaew, J. Hasegawa, H. Nakatsuji, Chem. Phys. Lett. 425, 367-371 (2006).<\/li>\n<li>Fine Theoretical Spectroscopy Using SAC-CI General-R Method:  Outer- and Inner-Valence Ionization Spectra of N<sub>2<\/sub>O and HN<sub>3<\/sub>,  M. Ehara, S. Yasuda and H. Nakatsuji, Z. Phys. Chem., 217, 161-176 (2003).<\/li>\n<li> <\/li>\n<li>Fine Theoretical Spectroscopy Using SAC-CI General-R Method:  Outer- and Inner-Valance Ionization Spectra of CS<sub>2<\/sub> and OCS,  M. Ehara, M. Ishida, and H. Nakatsuji, J. Chem. Phys., 117, 3248-3255 (2002).<\/li>\n<li>Electronic Excitation Spectra of Furan and Pyrolle:  Revisited by the SAC-CI Method,  J. Wan, J. Meller, M. Hada, M. Ehara, and H. Nakatsuji, J. Chem. Phys., 113(18), 7853-7866 (2000).<\/li>\n<li>Hyperfine Splitting Constants Studied by the SAC-CI Method,  H. Nakatsuji, M. Ehara, and T. Momose, J. Chem. Phys., 100(8), 5821-5828 (1994).<\/li>\n<li>Calculation of Hyperfine Splitting Constants with Slater-Type Cusp Basis by the SAC-CI Theory,  H. Nakatsuji and M. Izawa, J. Chem. Phys., 91(9), 6205-6214 (1989).<\/li>\n<\/ul>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>\u7406\u8ad6\u7cbe\u5bc6\u30b9\u30da\u30af\u30c8\u30ed\u30b9\u30b3\u30d4\u30fc \u3000\u4e0b\u56f31\u306f\u3001\u4e00\u9178\u5316\u70ad\u7d20\u5206\u5b50(CO)\u306e\u30a4\u30aa\u30f3\u5316\u30b9\u30da\u30af\u30c8 &hellip; <a href=\"https:\/\/qcri.or.jp\/lab\/ja\/research_ja\/re_electron\">\u7d9a\u304d\u3092\u8aad\u3080 <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":1598,"menu_order":0,"comment_status":"closed","ping_status":"open","template":"","meta":{"footnotes":""},"class_list":["post-1099","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/1099","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/comments?post=1099"}],"version-history":[{"count":7,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/1099\/revisions"}],"predecessor-version":[{"id":1663,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/1099\/revisions\/1663"}],"up":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/1598"}],"wp:attachment":[{"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/media?parent=1099"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}