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Large scale MP2 calculations with fragment molecular orbital scheme
Mochizuki, Yuji, Koikegami, Shigeru, Nakano, Tatsuya, Amari, Shinji, Kitaura, Kazuo
Published in Chemical physics letters (01.10.2004)
Published in Chemical physics letters (01.10.2004)
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Journal Article
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene
Christiansen, Ove, Koch, Henrik, Halkier, Asger, Jo/rgensen, Poul, Helgaker, Trygve, Sánchez de Merás, Alfredo
Published in The Journal of chemical physics (22.10.1996)
Published in The Journal of chemical physics (22.10.1996)
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Journal Article
Integral direct calculation of CC2 excitation energies: singlet excited states of benzene
Christiansen, Ove, Koch, Henrik, Jørgensen, Poul, Helgaker, Trygve
Published in Chemical physics letters (13.12.1996)
Published in Chemical physics letters (13.12.1996)
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Journal Article