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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 115, 2017 - Issue 17-18: Molecular Quantum Mechanics, Uppsala, Sweden Meeting June 26 - 1 July 2016
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MQM 2016

UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters

Takashi KawakamiDepartment of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka, Japan;RIKEN Advanced Institute for Computational Science, Kobe, Hyogo, JapanCorrespondence[email protected]
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Shinsuke SanoDepartment of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka, JapanView further author information
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Toru SaitoGraduate School of Information Sciences, Hiroshima City University, Hiroshima, JapanView further author information
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Sandeep SharmaDepartment of Chemistry and Biochemistry, University of Colorado Boulder, Boulder, CL, USAView further author information
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Mitsuo ShojiCenter for Computational Science, University of Tsukuba, Tsukuba, Ibaraki, JapanView further author information
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Satoru YamadaRIKEN Advanced Institute for Computational Science, Kobe, Hyogo, JapanView further author information
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Yu TakanoRIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan;Graduate School of Information Sciences, Hiroshima City University, Hiroshima, JapanView further author information
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Shusuke YamanakaDepartment of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka, JapanView further author information
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Mitsutaka OkumuraDepartment of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka, JapanView further author information
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Takahito NakajimaRIKEN Advanced Institute for Computational Science, Kobe, Hyogo, JapanView further author information
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Kizashi YamaguchiRIKEN Advanced Institute for Computational Science, Kobe, Hyogo, Japan;NanoScience Design Center, Osaka University, Toyonaka, Osaka, JapanView further author information
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Pages 2154-2167 | Received 21 Oct 2016, Accepted 21 Feb 2017, Published online: 20 Mar 2017

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