{"id":855,"date":"2011-08-18T16:42:38","date_gmt":"2011-08-18T07:42:38","guid":{"rendered":"http:\/\/www.qcri.or.jp\/lab\/?page_id=855"},"modified":"2024-12-06T10:18:52","modified_gmt":"2024-12-06T01:18:52","slug":"hiroyuki-nakashima","status":"publish","type":"page","link":"https:\/\/qcri.or.jp\/lab\/ja\/staffs\/hiroyuki-nakashima","title":{"rendered":"Hiroyuki Nakashima"},"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\/nakashima.png\" alt=\"\" width=\"114\" height=\"113\" \/><\/p>\n<table style=\"width: 520px;\" cellspacing=\"0\" cellpadding=\"0\">\n<tbody>\n<tr>\n<td colspan=\"2\"><span style=\"color: #172d31;\">\u7b2c\u56db\u90e8\u9580 \u90e8\u9580\u9577<\/span><\/p>\n<p><span style=\"color: #172d31;\"><a href=\"https:\/\/qcri.or.jp\/~hiro\/\">(\u3055\u3089\u306b\u500b\u4eba\u30da\u30fc\u30b8\u306f\u3053\u3061\u3089)<\/a><\/span><\/td>\n<\/tr>\n<tr>\n<td width=\"20%\"><strong>E-mail<\/strong><\/td>\n<td><span style=\"color: #172d31;\">h.nakashima<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<tr>\n<td width=\"20%\"><strong>\u8da3\u5473<\/strong><\/td>\n<td><span style=\"color: #172d31;\">\u732b<\/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<p><span style=\"color: #172d31;\">(last update: Nov. 19, 2011)<\/span><\/p>\n<table>\n<tbody>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">26<\/span><\/td>\n<td><span style=\"color: #172d31;\">General coalescence conditions for the exact wave functions: Higher-order relations for two-particle systems,<br \/>\nY. I. Kurokawa, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> , in press.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">25<\/span><\/td>\n<td><span style=\"color: #172d31;\">Efficient antisymmetrization algorithm for the partially correlated wave functions in the free complement &#8211; local Schr\u00f6dinger equation method,<br \/>\nH. Nakashima and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> , in press.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">24<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the non-Born-Oppenheimer Schr\u00f6dinger equation for hydrogen molecular ion with the free complement method II: Highly-accurate electronic, vibrational, and rotational excited states,<br \/>\nH. Nakashima, Y. Hijikata, and H. Nakatsuji,<br \/>\n<em>Astrophys. J.<\/em> <strong>770<\/strong>, 144-1-9 (2013).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">23<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger and Dirac equations of atoms and molecules with massively parallel super-computer,<br \/>\nH. Nakashima, A. Ishikawa, Y. I. Kurokawa, and H. Nakatsuji,<br \/>\n<em>Proceedings of the 2012 Companion on High Performance Computing Networking, Storage and Analysis Companion (SC12)<\/em> , in press.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">22<\/span><\/td>\n<td><span style=\"color: #172d31;\">Electronic excitation spectra of radical anions of cyanoethylenes and cyanobenzenes: Symmetry adapted cluster-configuration interaction study,<br \/>\nH. Nakashima, T. Shida, and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> <strong>136<\/strong>, 214306-1-13 (2012).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">21<\/span><\/td>\n<td><span style=\"color: #172d31;\">SAC-CI methodology applied to molecular spectroscopy and photo-biology,<br \/>\nJ. Hasegawa, T. Miyahara, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>AIP Conf. Proc. Theory and Applications of Computational Chemistry (TACC)<\/em> <strong>1456<\/strong>, 101-108 (2012).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">20<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger equation of hydrogen molecular ion in the magnetic field with the free complement method,<br \/>\nA. Ishikawa, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>Progress in Theoretical Chemistry and Physics (Proceedings of QSCP-XVI), &#8220;Quantum Systems in Chemistry and Physics&#8221;<\/em> <strong>26<\/strong>, 255-274 (2012).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">19<\/span><\/td>\n<td><span style=\"color: #172d31;\">Analytical evaluations of exponentially correlated unlinked one-center, three- and four-electron integrals,<br \/>\nC. Wang, P. Mei, Y. Kurokawa, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>Phys. Rev. A<\/em> <strong>85<\/strong>, 042512-1-14 (2012).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">18<\/span><\/td>\n<td><span style=\"color: #172d31;\">Accurate solutions of the Schr\u00f6dinger and Dirac equations of H<sub>2<\/sub><sup>+<\/sup>, HD<sup>+<\/sup>, and HT<sup>+<\/sup>: With and without Born-Oppenheimer approximation and under magnetic field,<br \/>\nA. Ishikawa, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>Chem. Phys.<\/em> <strong>401<\/strong>, 62-72 (2012). (Special issue for Prof. D. Mukherjee)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">17<\/span><\/td>\n<td><span style=\"color: #172d31;\">Relativistic free complement method for correctly solving the Dirac equation with the applications to hydrogen isoelectronic atoms,<br \/>\nH. Nakashima and H. Nakatsuji,<br \/>\n<em>Theor. Chem. Acc.<\/em> <strong>725<\/strong>, 567-574 (2011). (Special issue for Prof. P. Pyykk\u00f6)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">16<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger and Dirac equations for a hydrogen atom in the universe&#8217;s strongest magnetic fields with the free complement method,<br \/>\nH. Nakashima and H. Nakatsuji,<br \/>\n<em>Astrophys. J.<\/em> <strong>725<\/strong>, 528-533 (2010).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">15<\/span><\/td>\n<td><span style=\"color: #172d31;\">LiH potential energy curves for ground and excited states with the free complement local Schr\u00f6dinger equation method,<br \/>\nA. Bande, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>Chem. Phys. Lett.<\/em> <strong>496<\/strong>, 347-350 (2010).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">14<\/span><\/td>\n<td><span style=\"color: #172d31;\">Free complement method for solving the Schr\u00f6dinger equation: how accurately can we solve the Schr\u00f6dinger equation,<br \/>\nH. Nakatsuji and H. Nakashima,<br \/>\n<em>Progress in Theoretical Chemistry and Physics dedicated to the proceedings of the 13th International Workshop on Qunatum Systems in Chemistry and Physics (QSCP-XIII), &#8220;Advances in the Theory of Atomic and Molecular Systems&#8221;<\/em> 47-60 (2009). (Special issue for Prof. P. Piecuch)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">13<\/span><\/td>\n<td><span style=\"color: #172d31;\">How does the free complement wave function become accurate and finally exact starting from the Slater and Gaussian initial functions for hydrogen atom?,<br \/>\nH. Nakatsuji and H. Nakashima,<br \/>\n<em>Int. J. Quantum Chem.<\/em> <strong>109<\/strong>, 2248-2262 (2009). (Special issue for Prof. K. Hirao)<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">12<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving non-Born Oppenheimer Schr\u00f6dinger equation for hydrogen molecular ion and its isotopomers using the free complement method,<br \/>\nY. Hijikata, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> <strong>130<\/strong>, 024102-1-11 (2009).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">11<\/span><\/td>\n<td><span style=\"color: #172d31;\">How accurately does the free complement wave function of a helium atom satisfy the Schr\u00f6dinger equation?,<br \/>\nH. Nakashima and H. Nakatsuji,<br \/>\n<em>Phys. Rev. Lett.<\/em> <strong>101<\/strong>, 240406-1-4 (2008).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">10<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger equation of helium and its isoelectronic ions with the exponential integral (Ei) function in the free iterative complement interaction method,<br \/>\nY. I. Kurokawa, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>Phys. Chem. Chem. Phys.<\/em> <strong>10<\/strong>, 4486-4494 (2008).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">9<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the electron and electron-nuclear Schr\u00f6dinger equations for the excited states of helium atom with the free iterative-complement-interaction method,<br \/>\nH. Nakashima, Y. Hijikata, and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> <strong>128<\/strong>, 154108-1-10 (2008).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">8<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the electron-nuclear Schr\u00f6dinger equation of helium atom and its isoelectronic ions with the free iterative-complement-interaction method,<br \/>\nH. Nakashima and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> <strong>128<\/strong>, 154107-1-7 (2008).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">7<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger and Dirac equations of hydrogen molecular ion accurately by the free iterative complement interaction method,<br \/>\nA. Ishikawa, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> <strong>128<\/strong>, 124103-1-12 (2008).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">6<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger equation of atoms and molecules without analytical integration based on the free iterative-complement-interaction wave function,<br \/>\nH. Nakatsuji, H. Nakashima, Y. Kurokawa, and A. Ishikawa,<br \/>\n<em>Phys. Rev. Lett.<\/em> <strong>99<\/strong>, 240402-1-4 (2007).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">5<\/span><\/td>\n<td><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger equation for helium atom and its isoelectronic ions with the free iterative complement interaction (ICI) method,<br \/>\nH. Nakashima and H. Nakatsuji,<br \/>\n<em>J. Chem. Phys.<\/em> <strong>127<\/strong>, 224104-1-14 (2007).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">4<\/span><\/td>\n<td valign=\"top\" width=\"575\"><span style=\"color: #172d31;\">On the O<sub>2<\/sub> binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes,<br \/>\nH. Nakashima, J. Hasegawa, and H. Nakatsuji,<br \/>\n<em>J. Comput. Chem.<\/em> <strong>27<\/strong>, 1363-1372 (2006).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\" height=\"21\"><span style=\"color: #172d31;\">3<\/span><\/td>\n<td valign=\"top\" width=\"575\"><span style=\"color: #172d31;\">On the reversible O<sub>2<\/sub> binding of Fe-porphyrin complex,<br \/>\nH. Nakashima, J. Hasegawa, and H. Nakatsuji,<br \/>\n<em>J. Comput. Chem.<\/em> <strong>27<\/strong>, 426-433 (2006).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\"><span style=\"color: #172d31;\">2<\/span><\/td>\n<td valign=\"top\" width=\"575\"><span style=\"color: #172d31;\">Free iterative-complement-interaction calculations of the hydrogen molecule,<br \/>\nY. Kurokawa, H. Nakashima, and H. Nakatsuji,<br \/>\n<em>Phys. Rev. A<\/em> <strong>72<\/strong>, 062502-1-11 (2005).<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">1<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Analytically solving the relativistic Dirac-Coulomb equation for atoms and molecules,<br \/>\nH. Nakatsuji and H. Nakashima,<br \/>\n<em>Phys. Rev. Lett.<\/em> <strong>95<\/strong>, 050407-1-4 (2005).<\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p class=\"pagetop\">\u2191<a href=\"#pagetop\">Page Top<\/a><\/p>\n<h3><a name=\"info_01\"><\/a>Invited lectures<\/h3>\n<p><span style=\"color: #172d31;\">(last update: Nov. 19, 2011)<\/span><\/p>\n<table>\n<tbody>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">6<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger equation of general molecule with the from atom to molecule method,<br \/>\nThe 17th Malaysian Chemical Congress (17th MCC),<br \/>\nKuala Lumpur, Malaysia,<br \/>\nOct. 15-17 2012.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">5<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger and Dirac-Coulomb equations: Applications to a few-electron atoms and molecules,<br \/>\nThe 14th Asian Chemical Congress (14th ACC),<br \/>\nBangkok, Thailand,<br \/>\nSep. 5-7 2011.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">4<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Recent progress in accurately solving the Schr\u00f6dinger equations of general atoms and molecules,<br \/>\nAsian International Symposium &#8211; Theoretical and Computational Chemistry,<br \/>\nOsaka, Japan,<br \/>\nMar. 28 2010.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">3<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Recent progress in accurately solving the Schr\u00f6dinger equations of general atoms and molecules,<br \/>\nOf Molecules and Materials (A Survey of Recent Concepts),<br \/>\nKolkata, India,<br \/>\nDec. 28-29 2009.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">2<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Recent development in accurately solving the Schr\u00f6dinger equations of general atoms and molecules,<br \/>\nThe 13th Asian Chemical Congress (13th ACC),<br \/>\nShanghai, China,<br \/>\nSep. 14-16 2009.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">1<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Toward accurate and predictive quantum chemistry &#8211; Solving the Schr\u00f6dinger equations of a few electron atoms and molecules,<br \/>\nQCRI JST-CREST Symposium,<br \/>\nKyoto, Japan,<br \/>\nMay 31 2008 (In Japanese).<\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p class=\"pagetop\">\u2191<a href=\"#pagetop\">Page Top<\/a><\/p>\n<h3><a name=\"info_02\"><\/a>Contributed talk (International)<\/h3>\n<p><span style=\"color: #172d31;\">(last update: Nov. 19, 2011)<\/span><\/p>\n<table>\n<tbody>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">2<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger and Dirac-Coulomb equations with and without magnetic fields,<br \/>\nXVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI),<br \/>\nKanazawa, Japan,<br \/>\nSep. 11-17 2011.<\/span><\/td>\n<\/tr>\n<tr>\n<td valign=\"top\" width=\"25\"><span style=\"color: #172d31;\">1<\/span><\/td>\n<td width=\"575\"><span style=\"color: #172d31;\">Solving the Schr\u00f6dinger and Dirac-Coulomb equations,<br \/>\nPacifichem 2010 (Symposium #10 Computational Quantum Chemistry: Theory and Interactions with Experiment in honor of Hiroshi Nakatsuji, Kimihiko Hirao, and Shigeru Nagase),<br \/>\nHawaii, USA,<br \/>\nDec. 15-20 2010.<\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n","protected":false},"excerpt":{"rendered":"<p>\u7b2c\u56db\u90e8\u9580 \u90e8\u9580\u9577 (\u3055\u3089\u306b\u500b\u4eba\u30da\u30fc\u30b8\u306f\u3053\u3061\u3089) E-mail h.nakashi &hellip; <a href=\"https:\/\/qcri.or.jp\/lab\/ja\/staffs\/hiroyuki-nakashima\">\u7d9a\u304d\u3092\u8aad\u3080 <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":39,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-855","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/855","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\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/comments?post=855"}],"version-history":[{"count":13,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/855\/revisions"}],"predecessor-version":[{"id":3920,"href":"https:\/\/qcri.or.jp\/lab\/wp-json\/wp\/v2\/pages\/855\/revisions\/3920"}],"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=855"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}