{"id":1161,"date":"2011-11-14T21:26:39","date_gmt":"2011-11-14T12:26:39","guid":{"rendered":"http:\/\/www.qcri.or.jp\/lab\/?page_id=1161"},"modified":"2011-12-15T11:48:53","modified_gmt":"2011-12-15T02:48:53","slug":"fan-tao","status":"publish","type":"page","link":"https:\/\/qcri.or.jp\/lab\/ja\/staffs\/fan-tao","title":{"rendered":"Fang Tao"},"content":{"rendered":"<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-856\" title=\"Hiroyuki-Nakashima\" src=\"https:\/\/qcri.or.jp\/lab\/imgs\/tao.png\" alt=\"\" width=\"150\" height=\"150\" \/><\/p>\n<table style=\"width: 520px;\" cellspacing=\"0\" cellpadding=\"0\">\n<tbody>\n<tr>\n<td colspan=\"2\">\n<ul>\n<li><span style=\"color: #172d31;\">\u91cf\u5b50\u5316\u5b66\u7814\u7a76\u5354\u4f1a\u7814\u7a76\u6240 (\u91cf\u5316\u7814) <\/span><\/li>\n<\/ul>\n<\/td>\n<\/tr>\n<tr>\n<td width=\"20%\"><strong>E-mail<\/strong><\/td>\n<td><span style=\"color: #172d31;\">t.fang<img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-857\" title=\"at\" src=\"https:\/\/qcri.or.jp\/lab\/wp-content\/uploads\/2011\/08\/at4.gif\" alt=\"\" width=\"10\" height=\"10\" \/>qcri.or.jp<\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul>\n<li><a href=\"#info_00\">Author of<\/a><\/li>\n<li><a href=\"#info_01\">Invited lectures<\/a><\/li>\n<li><a href=\"#info_02\">Contributed talk (International)<\/a><\/li>\n<\/ul>\n<h3><a name=\"info_00\"><\/a>Author of<\/h3>\n<table>\n<tbody>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">11<\/span><\/td>\n<td><span style=\"color: #172d31;\"><span style=\"color: #172d31;\">Performance of block correlated coupled cluster method with the CASSCF reference function for carbon-carbon bond breaking in hydrocarbons<\/span><br \/><span style=\"color: #172d31;\">Jun Shen, <\/span><span style=\"color: #172d31;\">Tao Fang<\/span><span style=\"color: #172d31;\">, and Shuhua Li<\/span><br \/><em><strong><em>Advances in the Theory of Atomic and Molecular Systems, <\/em><\/strong>Ed. by P. Piecuch et al. Springer Science+Business Media B.V. 2009, pp. 241-255.<br \/><\/em><\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">10<\/span><\/td>\n<td><span style=\"color: #172d31;\"><span style=\"color: #172d31;\">Block correlated coupled cluster method with a complete active-space self-consistent-field reference function: the implementation for low-lying excited states<\/span><br \/><span style=\"color: #172d31;\">Tao Fang<\/span><span style=\"color: #172d31;\">, Jun Shen, and Shuhua Li<\/span><br \/><em><em>J. Chem. Phys. <\/em><\/em><strong>129<\/strong><em>,<\/em> 234106-1-8 (2008)<em><br \/><\/em><\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">9<\/span><\/td>\n<td><span style=\"color: #172d31;\"><span style=\"color: #172d31;\">Singlet-triplet Gaps in Substituted Carbenes predicted from Block-Correlated Coupled Cluster Method<\/span><br \/><span style=\"color: #172d31;\">Jun Shen, Tao Fang<\/span><span style=\"color: #172d31;\">, Weijie Hua, and Shuhua Li<\/span><br \/><em>Sci. China Ser. B-Chem. <\/em><strong>51<\/strong>, 1197-1202 (2008)<em><br \/><\/em><\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">8<\/span><\/td>\n<td><span style=\"color: #172d31;\">Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for the Prediction of Activation Barriers, Spectroscopic Constants in Diatomic Molecules, and Singlet-triplet Gaps in Diradicals<br \/>Jun Shen, Tao Fang, Shuhua Li, and Yuansheng Jiang<br \/><em>J. Phys. Chem. A <\/em><strong>112<\/strong>, 12518-12525 (2008)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">7<\/span><\/td>\n<td><span style=\"color: #172d31;\"><span style=\"color: #172d31;\">Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach<\/span><br \/><span style=\"color: #172d31;\">Weijie Hua, <\/span><span style=\"color: #172d31;\">Tao Fang<\/span><span style=\"color: #172d31;\">, Wei Li, Jianguo Yu, and Shuhua Li<\/span><br \/><em>J. Phys. Chem. A <\/em><strong>112<\/strong>, 10864-10872 (2008)<em><br \/><\/em><\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">6<\/span><\/td>\n<td><span style=\"color: #172d31;\">Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its allications for multibond breaking systems<br \/>Tao Fang, Jun Shen, and Shuhua Li<br \/><em>J. Chem. Phys. <\/em><strong>128<\/strong>, 224107-1-8 (2008)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">5<\/span><\/td>\n<td><span style=\"color: #172d31;\">Spectroscopic Constants of Single-Bond Diatomic Molecules and Singlet-Triplet Gaps of Diradicals by the Block-Correlated Cluster Theory<br \/>Jun Shen, Tao Fang, Weijie Hua, and Shuhua Li<br \/><em>J. Phys. Chem. A<\/em> <strong>112<\/strong>, 4703-4709 (2008)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">4<\/span><\/td>\n<td><span style=\"color: #172d31;\">Block correlated coupled cluster theory with a CASSCF reference function: The formulation and test applications for single bond breaking<br \/>Tao Fang and Shuhua Li<br \/><em>J. Chem. Phys. <\/em><strong>127<\/strong>, 204108-1-12 (2007)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">3<\/span><\/td>\n<td><span style=\"color: #172d31;\"><span style=\"color: #172d31;\">Interfacial charge transfer and transport in polyacetylene-based heteroionic junctions: Quantum chemistry calculations and molecular dynamics simulations<\/span><br \/><span style=\"color: #172d31;\">Hui Cao, <\/span><span style=\"color: #172d31;\">Tao Fang<\/span><span style=\"color: #172d31;\">, Shuhua Li, and Jing Ma<\/span><br \/><em>Macromolecules.<\/em> <strong>40<\/strong>, 4363-4369 (2007)<em><br \/><\/em><\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">2<\/span><\/td>\n<td><span style=\"color: #172d31;\">A fragment energy assembler method for Hartree-Fock calculations of large molecules<br \/>Wei Li, Tao Fang<span style=\"text-decoration: underline;\">,<\/span> and Shuhua Li<br \/><em>J. Chem. Phys. <\/em><strong>124<\/strong>, 154102-1-6 (2006)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">1<\/span><\/td>\n<td><span style=\"color: #172d31;\"><span style=\"color: #172d31;\">An Efficient Fragment-Based Approach for Predicting the Ground-State Energies and Structures of Large Molecules<\/span><br \/><span style=\"color: #172d31;\">Shuhua Li, Wei Li, and <\/span><span style=\"color: #172d31;\">Tao Fang<\/span><br \/><em>J. Am. Chem. Soc. <\/em><strong>127<\/strong>, 7215-7226 (2005)<em><br \/><\/em><\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><\/td>\n<td><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>?<\/p>\n<p class=\"pagetop\">\u2191<a href=\"#pagetop\">Page Top<\/a><\/p>\n<h3><a name=\"info_01\"><\/a>Invited lectures<\/h3>\n<div style=\"text-align: left;\"><span style=\"font-size: small;\"><span style=\"border-collapse: collapse; line-height: 24px;\"><br \/><\/span><\/span><\/div>\n<p class=\"pagetop\">\u2191<a href=\"#pagetop\">Page Top<\/a><\/p>\n<h3><a name=\"info_02\"><\/a>Contributed talk (International)<\/h3>\n<table>\n<tbody>\n<tr>\n<td width=\"25\" valign=\"top\"><span style=\"color: #172d31;\"><br \/><\/span><\/td>\n<td width=\"575\"><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n","protected":false},"excerpt":{"rendered":"<p>\u91cf\u5b50\u5316\u5b66\u7814\u7a76\u5354\u4f1a\u7814\u7a76\u6240 (\u91cf\u5316\u7814) E-mail t.fangqcri.or.j &hellip; <a href=\"https:\/\/qcri.or.jp\/lab\/ja\/staffs\/fan-tao\">\u7d9a\u304d\u3092\u8aad\u3080 <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":39,"menu_order":0,"comment_status":"closed","ping_status":"open","template":"","meta":{"footnotes":""},"class_list":["post-1161","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/1161","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=1161"}],"version-history":[{"count":3,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/1161\/revisions"}],"predecessor-version":[{"id":2045,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/1161\/revisions\/2045"}],"up":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/39"}],"wp:attachment":[{"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/media?parent=1161"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}