{"id":742,"date":"2011-08-18T12:59:18","date_gmt":"2011-08-18T03:59:18","guid":{"rendered":"http:\/\/www.qcri.or.jp\/lab\/?p=742"},"modified":"2011-11-19T18:52:18","modified_gmt":"2011-11-19T09:52:18","slug":"s20100812","status":"publish","type":"post","link":"https:\/\/qcri.or.jp\/lab\/archives\/742","title":{"rendered":"2010\u5e74 8\u670812-13\u65e5 &#8211; Gaussian\/SAC-CI\u8b1b\u7fd2\u4f1a\u300c\u5206\u5b50\u8ecc\u9053\u6cd5\u306e\u57fa\u790e\u304b\u3089SAC-CI\u6cd5\u306b\u3088\u308b\u5149\u52b1\u8d77\u72b6\u614b\u306e\u7814\u7a76\u306e\u4ed5\u65b9\u307e\u3067\uff1a \u8d85\u4e00\u6d41\u306e\u8b1b\u5e2b\u9663\u306b\u5b66\u3076\u300d"},"content":{"rendered":"<p style=\"text-align: right;\">\u4e3b\u50ac: Quantum Chemistry Research Institute (QCRI), Quantum Chemistry Research &amp; Development (QCRD)<br \/>\u5f8c\u63f4: Gaussian Inc. USA<\/p>\n<table class=\"bg_none border_none\" style=\"width: 100%;\" border=\"0\">\n<tbody>\n<tr>\n<td>\u3000\u8a08\u7b97\u5316\u5b66\u306e\u98db\u8e8d\u7684\u306a\u9032\u6b69\u3068\u4fe1\u983c\u6027\u306e\u5411\u4e0a\u3068\u3068\u3082\u306b\u3001\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u3092\u7814\u7a76\u958b\u767a\u306e\u6307\u91dd\u4f5c\u308a\u3084\u65e5\u5e38\u306e\u9053\u5177\u3068\u3057\u3066\u5229\u7528\u3059\u308b\u7814\u7a76\u8005\u304c\u5897\u3048\u3066\u304d\u307e\u3057\u305f\u3002\u672c\u8b1b\u7fd2\u4f1a\u3067\u306f\u3001Gaussian\u3068\u305d\u306e\u4e2d\u306b\u542b\u307e\u308c\u3066\u3044\u308bSAC-CI\u30d7\u30ed\u30b0\u30e9\u30e0\u3092\u4f7f\u3063\u3066\u3001\u5206\u5b50\u3068\u5149\u304c\u3082\u305f\u3089\u3059\u5e45\u5e83\u3044\u79d1\u5b66\u3068\u5316\u5b66\u3092\u3001\u5206\u5b50\u8ecc\u9053\u6cd5\u3068SAC-CI\u6cd5\u3092\u4f7f\u3063\u3066\u7814\u7a76\u3059\u308b\u65b9\u6cd5\u3092\u8c4a\u5bcc\u306a\u6f14\u7fd2\u3092\u4ea4\u3048\u3066\u8b1b\u8ff0\u3057\u307e\u3059\u3002<br \/>\u3000Gaussian\u30d7\u30ed\u30b0\u30e9\u30e0\u306f\u3054\u5b58\u77e5\u306e\u901a\u308a\u3001\u4e16\u754c\u6700\u5927\u306e\u30b7\u30a7\u30a2\u3092\u3082\u3064\u6c4e\u7528\u91cf\u5b50\u5316\u5b66\u30d7\u30ed\u30b0\u30e9\u30e0\u30d1\u30c3\u30b1\u30fc\u30b8\u3067\u3042\u308a\u3001\u7d4c\u9a13\u7684\u624b\u6cd5\u304b\u3089DFT\u3001\u305d\u3057\u3066\u9ad8\u5ea6\u306aab initio\u8a08\u7b97\u307e\u3067\u30ab\u30d0\u30fc\u3057\u3066\u304a\u308a\u3001\u539f\u5b50\u30fb\u5206\u5b50\u306e\u5316\u5b66\u3068\u7269\u7406\u3092\u7406\u8ad6\u7684\u306b\u7814\u7a76\u3057\u305f\u308a\u89e3\u660e\u3057\u305f\u308a\u3059\u308b\u305f\u3081\u306b\u306f\u6b20\u304b\u305b\u306a\u3044\u30d7\u30ed\u30b0\u30e9\u30e0\u30d1\u30c3\u30b1\u30fc\u30b8\u3067\u3059\u3002SAC-CI\u6cd5\u306f\u3053\u306eGaussian\u306b\u642d\u8f09\u3055\u308c\u3001\u5149\u3068\u5206\u5b50\u306e\u52b1\u8d77\u72b6\u614b\u304c\u7d61\u3080\u5e45\u5e83\u3044\u79d1\u5b66\u3092\u7814\u7a76\u3059\u308b\u305f\u3081\u306e\u4fe1\u983c\u5ea6\u306e\u9ad8\u3044\u91cf\u5b50\u5316\u5b66\u7406\u8ad6\u3067\u3059\u3002\u672c\u8b1b\u7fd2\u4f1a\u3067\u306f\u3001Gaussian\u3068SAC-CI\u6cd5\u3092\u5229\u7528\u3057\u3066\u3001\u5206\u5b50\u306e\u52b1\u8d77\u72b6\u614b\u3084\u30a4\u30aa\u30f3\u5316\u72b6\u614b\u306e\u79d1\u5b66\u3068\u5316\u5b66\u3092\u7814\u7a76\u3057\u3088\u3046\u3068\u3059\u308b\u65b9\u3001\u3053\u308c\u3092\u5149\u6750\u6599\u306e\u958b\u767a\u3084\u8a2d\u8a08\u306b\u6d3b\u7528\u3057\u3088\u3046\u3068\u304a\u8003\u3048\u306e\u65b9\u3001\u307e\u305f\u3001\u751f\u7269\u306e\u5149\u6a5f\u80fd\u306e\u4ed5\u7d44\u307f\u306e\u89e3\u660e\u3084\u305d\u306e\u5229\u7528\u306b\u5fdc\u7528\u3057\u3088\u3046\u3068\u8003\u3048\u3066\u304a\u3089\u308c\u308b\u65b9\u3001\u306a\u3069\u3092\u5bfe\u8c61\u306b\u3001\u8a08\u7b97\u6cd5\u306e\u57fa\u3068\u306a\u308b\u91cf\u5b50\u5316\u5b66\u7406\u8ad6\u304b\u3089\u5206\u304b\u308a\u3084\u3059\u304f\u89e3\u8aac\u3057\u3001\u7406\u8ad6\u306b\u57fa\u3065\u304f\u6b63\u3057\u3044\u8a08\u7b97\u6cd5\u3068\u30ce\u30a6\u30cf\u30a6\u3092\u3001\u5b9f\u969b\u306e\u6f14\u7fd2\u3068\u5171\u306b\u8b1b\u8ff0\u3057\u307e\u3059\u3002\u8b1b\u5e2b\u9663\u306b\u306fSAC-CI\u6cd5\u306e\u63d0\u6848\u8005\u3068\u958b\u767a\u8005\u3092\u8fce\u3048\u3001\u9ad8\u30ec\u30d9\u30eb\u3067\u3042\u308a\u306a\u304c\u3089\u5206\u304b\u308a\u3084\u3059\u3044\u8b1b\u7fd2\u3092\u884c\u3044\u307e\u3059\u3002<br \/>\u3000\u7b2c\u4e00\u56de\u306e\u8b1b\u7fd2\u4f1a\u306f\u3001\u4e88\u60f3\u3092\u4e0a\u56de\u308b\u597d\u8a55\u3067\u3001\u5e2d\u6570\u306e\u95a2\u4fc2\u304b\u3089\u65e9\u3005\u3068\u7533\u8fbc\u307f\u3092\u7de0\u3081\u5207\u3089\u3056\u308b\u3092\u5f97\u307e\u305b\u3093\u3067\u3057\u305f\u3002\u305d\u3053\u3067\u7b2c\u4e8c\u56de\u306f\u3001\u57fa\u672c\u7684\u306b\u306f\u524d\u56de\u306e\u5185\u5bb9\u3092\u8e0f\u8972\u3057\u3064\u3064\u3082\u3001\u305d\u306e\u7d4c\u9a13\u3092\u3082\u3068\u306b\u6539\u5584\u3092\u56f3\u308a\u3001Gaussian\u3068SAC?CI\u3092\u3088\u308a\u5bb9\u6613\u306b\u3054\u7406\u89e3\u9802\u304d\u3001\u7814\u7a76\u3084\u958b\u767a\u306e\u73fe\u5834\u3067\u3084\u3055\u3057\u304f\u304a\u4f7f\u3044\u9802\u3051\u308b\u3053\u3068\u3092\u76ee\u6307\u3057\u307e\u3059\u3002\u61c7\u89aa\u4f1a\u306f\u8b1b\u7fd2\u4e2d\u306b\u8cea\u554f\u3067\u304d\u306a\u304b\u3063\u305f\u3053\u3068\u3092\u8b1b\u5e2b\u306b\u8cea\u554f\u3059\u308b\u306a\u3069\u3001\u5927\u5909\u6709\u7528\u306a\u5834\u3067\u3042\u308a\u307e\u3057\u305f\u3002\u8b1b\u7fd2\u4f1a\u3068\u4f75\u305b\u3066\u3054\u53c2\u52a0\u304f\u3060\u3055\u308b\u3088\u3046\u3001\u3054\u6848\u5185\u3044\u305f\u3057\u307e\u3059\u3002\u5b9f\u65bd\u306e\u8981\u9818\u306f\u6b21\u306e\u901a\u308a\u3067\u3042\u308a\u3001\u524d\u56de\u3068\u307b\u307c\u540c\u69d8\u3067\u3059\u3002<\/td>\n<td class=\"align_right\" style=\"width:220px;\"><a href=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/gaussianlectureposter_2nd.pdf\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-98 border_gray\" title=\"\" src=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/gaussianlectureposter_2nd.png\" alt=\"\" width=\"218\" height=\"316\" \/><\/a><br \/><a href=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/gaussianlectureposter_2nd.pdf\">PDF\u30d5\u30a1\u30a4\u30eb\uff08376KB\uff09<\/a><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<table border=\"0\">\n<tbody>\n<tr>\n<td width=\"120\">\u65e5\u6642<\/td>\n<td>2010\u5e748\u670812\u65e5?13\u65e5<br \/>\u30008\u670812\u65e5(\u6728):<br \/>\u3000\u3000\u8b1b\u7fd2\u3068\u6f14\u7fd2: \u5348\u524d10:30 ? \u5348\u5f8c17:30<br \/>\u3000\u3000\u61c7\u89aa\u4f1a: \u5348\u5f8c18:00\u3088\u308a<br \/>\u30008\u670813\u65e5(\u91d1):<br \/>\u3000\u3000\u8b1b\u7fd2\u3068\u6f14\u7fd2: \u5348\u524d9:00 ? \u5348\u5f8c17:00<\/td>\n<\/tr>\n<tr>\n<td>\u5834\u6240\u30fb\u30a2\u30af\u30bb\u30b9<\/td>\n<td><a href=\"http:\/\/www.consortium.or.jp\/contents_detail.php?frmId=585\">\u30ad\u30e3\u30f3\u30d1\u30b9\u30d7\u30e9\u30b6\u4eac\u90fd <\/a>(JR\u4eac\u90fd\u99c5\u5317\u53e3\u3092JR\u6cbf\u3044\u897f\u3078\u5f92\u6b69\uff15\u5206\u4f4d) <br \/>\u3000\uff12\u968e\u3001\u7b2c\u4e00\u4f1a\u8b70\u5ba4\uff08\u8b1b\u7fd2\u3068\u6f14\u7fd2\uff09<br \/>\u30a2\u30d1\u30db\u30c6\u30eb\u30fb\u30ec\u30b9\u30c8\u30e9\u30f3\u56db\u5b63 (\u61c7\u89aa\u4f1a):\u3000\u30ad\u30e3\u30f3\u30d1\u30b9\u30d7\u30e9\u30b6\u4eac\u90fd\u306e\u897f\u5074\u306e\u30db\u30c6\u30eb\u5730\u4e0b<\/td>\n<\/tr>\n<tr>\n<td>\u5bfe\u8c61<\/td>\n<td>Gaussian\u3068SAC-CI\u3092\u5229\u7528\u3057\u3066\u3001\u5149\u3068\u52b1\u8d77\u72b6\u614b\u306e\u7d61\u3080\u79d1\u5b66\u3068\u5206\u5b50\u8a2d\u8a08\u306b\u8208\u5473\u3042\u308b\u65b9<\/td>\n<\/tr>\n<tr>\n<td>\u53c2\u52a0\u8cbb<br \/>(\uff11\u540d\u306b\u4ed8\u304d)<\/td>\n<td>\u4f01\u696d\u53c2\u52a0: \uff15\u4e07\u5186<br \/>\u30a2\u30ab\u30c7\u30df\u30c3\u30af: \uff13\u4e07\u5186<br \/>\u5b66\u751f: \uff12\u4e07\u5186<br \/>(\u61c7\u89aa\u4f1a\u8cbb: 4500\u5186 (\u53c2\u52a0\u306f\u4efb\u610f\u3067\u3059\u304c\u3001\u304a\u52e7\u3081\u3044\u305f\u3057\u307e\u3059))<\/td>\n<\/tr>\n<tr>\n<td>\u7533\u3057\u8fbc\u307f\u65b9\u6cd5<\/td>\n<td>\u53c2\u52a0\u5e0c\u671b\u8005\u306f\u4e00\u4eba\u305a\u3064\u4e0b\u306e\u53c2\u52a0\u7533\u8fbc\u66f8(<a href=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/sacciseminarapplication.doc\">Word<\/a>, <a href=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/sacciseminarapplication.pdf\">PDF<\/a>)\u306b\u8a18\u5165\u3057\u3001e-mail\u306b\u3066\u3001 y.itoh<img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-749\" title=\"at\" src=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/at1.gif\" alt=\"\" width=\"10\" height=\"10\" \/>qcri.or.jp \u306b\u6dfb\u4ed8\u30fb\u9001\u4fe1\u306e\u3053\u3068\u3002<br \/>\u53c2\u52a0\u8cbb\u306f\u9280\u884c\u632f\u308a\u8fbc\u307f\uff08\u4eac\u90fd\u9280\u884c\u6842\u652f\u5e97\u666e\u901a\u9810\u91d1No. 3485021 QCRD \u4ee3\u8868 \u4e2d\u8fbb\u3000\u535a\uff09\u3092\u3054\u5229\u7528\u304f\u3060\u3055\u3044\u3002\u5165\u91d1\u3092\u78ba\u8a8d\u306e\u4e0a\u3001\u53c2\u52a0\u8a3c\u3092e-mail\u306b\u3066\u304a\u9001\u308a\u3044\u305f\u3057\u307e\u3059\u3002<br \/>\u3053\u306e\u53c2\u52a0\u8a3c\u3092\u5f53\u65e5\u5fc5\u305a\u3054\u6301\u53c2\u304f\u3060\u3055\u3044\u3002<\/td>\n<\/tr>\n<tr>\n<td>\u6301\u53c2\u3059\u308b\u3082\u306e<\/td>\n<td>\u53c2\u52a0\u8a3c<br \/>\u30ce\u30fc\u30c8\u30d1\u30bd\u30b3\u30f3<\/p>\n<ul>\n<li>Gaussian\u3068SAC-CI\u306e\u6f14\u7fd2\u3092\u884c\u3046\u969b\u3001\u30ce\u30fc\u30c8PC(\u7121\u7ddaLAN\u4ed8\u304d)\u3092\u4f7f\u3044\u307e\u3059\u3002\u304a\u6301\u3061\u3067\u306a\u3044\u65b9\u306e\u305f\u3081\u4f55\u53f0\u304b\u5f53\u65b9\u306b\u3066\u7528\u610f\u3057\u307e\u3059\u304c\u3001\u6570\u306b\u9650\u308a\u304c\u3042\u308a\u5148\u7740\u4e88\u7d04\u9806\u3068\u3057\u307e\u3059\u3002<\/li>\n<li>\u30ce\u30fc\u30c8PC\u306eOS\u306fWindows XP, Windows Vista, Windows 7 \u306e\u3044\u305a\u308c\u3082\u53ef\u80fd\u3067\u3059\u3002<\/li>\n<li>Mac OS\u306f\u30b5\u30dd\u30fc\u30c8\u81f4\u3057\u304b\u306d\u307e\u3059\u304c\u3001\u5fa1\u81ea\u8eab\u306b\u3088\u308a\u30cd\u30c3\u30c8\u30ef\u30fc\u30af\u63a5\u7d9a(\u7121\u7dda)\u3068Unix\u3078\u306e\u30ea\u30e2\u30fc\u30c8\u63a5\u7d9a\u7528\u30bf\u30fc\u30df\u30ca\u30eb\u30bd\u30d5\u30c8\u4e26\u3073\u306bscp, sftp\u306b\u3088\u308b\u30d5\u30a1\u30a4\u30eb\u8ee2\u9001\u30bd\u30d5\u30c8\u306e\u5229\u7528\u304c\u4fdd\u8a3c\u3067\u304d\u308b\u5834\u5408\u306f\u53ef\u80fd\u3067\u3059\u3002<\/li>\n<li>\u30cd\u30c3\u30c8\u30ef\u30fc\u30af\u3092\u901a\u3058\u3066Gaussian\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u6e08\u307f\u306e\u8a08\u7b97\u30b5\u30fc\u30d0\u306b\u63a5\u7d9a\u3059\u308b\u305f\u3081\u30011) \u63a5\u7d9a\u7528\u30bf\u30fc\u30df\u30ca\u30eb\u30bd\u30d5\u30c8:<a href=\"http:\/\/sourceforge.jp\/projects\/ttssh2\/\">\u300cTera Term\u300d<\/a>\u3068\u30012) \u30d5\u30a1\u30a4\u30eb\u8ee2\u9001\u30bd\u30d5\u30c8: <a href=\"http:\/\/www.tab2.jp\/%7Ewinscp\/\">\u300cWinSCP\u300d<\/a>\u3092\u3001\u5404\u53c2\u52a0\u8005\u306e\u30ce\u30fc\u30c8PC\u306b\u5f53\u65e5\u307e\u3067\u306b\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3057\u3066\u9802\u304d\u307e\u3059\u3002\u8a73\u7d30\u306b\u3064\u3044\u3066\u306f<a href=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/pcsetting.pdf\">\u8aac\u660e\u66f8(3.12MB)<\/a>\u3092\u3054\u89a7\u304f\u3060\u3055\u3044\u3002\u3054\u8cea\u554f\u306fnakashima<img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-749\" title=\"at\" src=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/at1.gif\" alt=\"\" width=\"10\" height=\"10\" \/>qcri.or.jp (\u4e2d\u5d8b)\u307e\u3067\u3054\u9023\u7d61\u304f\u3060\u3055\u3044\u3002<\/li>\n<\/ul>\n<\/td>\n<\/tr>\n<tr>\n<td>\u8b1b\u5e2b<\/td>\n<td>\u4e2d\u8fbb \u535a (\u91cf\u5b50\u5316\u5b66\u7814\u7a76\u5354\u4f1a \u7406\u4e8b\u9577\u3001\u4eac\u90fd\u5927\u5b66 \u540d\u8a89\u6559\u6388)<br \/>\u6c5f\u539f \u6b63\u535a (\u5206\u5b50\u79d1\u5b66\u7814\u7a76\u6240 \u8a08\u7b97\u79d1\u5b66\u7814\u7a76\u30bb\u30f3\u30bf\u30fc \u6559\u6388)<br \/>\u9577\u8c37\u5ddd\u6df3\u4e5f(\u4eac\u90fd\u5927\u5b66\u5de5\u5b66\u90e8\u3000\u8b1b\u5e2b)<br \/>\u798f\u7530 \u826f\u4e00 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