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Collect. Czech. Chem. Commun. 2005, 70, 1017-1033
https://doi.org/10.1135/cccc20051017

Multireference State-Specific Coupled-Cluster Theory and Multiconfigurationality Index. BH Dissociation

Vladimir V. Ivanova, Ludwik Adamowiczb,* and Dmitry I. Lyakha

a Department of Chemistry, Kharkov National University, Kharkov, Ukraine
b Department of Chemistry, University of Arizona, Tucson, Arizona 85721, U.S.A.

Crossref Cited-by Linking

  • Ivanov Vladimir V., Berdnyk Mykhailo I., Adamowicz Ludwik: L1-regularisation of the coupled-cluster solutions. Molecular Physics 2017, 115, 2892. <https://doi.org/10.1080/00268976.2017.1359345>
  • Lyakh Dmitry I.: An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU. Computer Physics Communications 2015, 189, 84. <https://doi.org/10.1016/j.cpc.2014.12.013>
  • Lyakh Dmitry I.: Scale-adaptive tensor algebra for local many-body methods of electronic structure theory. Int. J. Quantum Chem. 2014, 114, 1607. <https://doi.org/10.1002/qua.24732>
  • Rolik Zoltán, Kállay Mihály: A quasiparticle-based multi-reference coupled-cluster method. The Journal of Chemical Physics 2014, 141, 134112. <https://doi.org/10.1063/1.4896703>
  • Lyakh Dmitry I., Musiał Monika, Lotrich Victor F., Bartlett Rodney J.: Multireference Nature of Chemistry: The Coupled-Cluster View. Chem. Rev. 2012, 112, 182. <https://doi.org/10.1021/cr2001417>
  • Ivanov Vladimir V., Lyakh Dmitry I., Adamowicz Ludwik: State-specific multireference coupled-cluster theory of molecular electronic excited states. Annu Rep Prog Chem Sect C 2011, 107, 169. <https://doi.org/10.1039/c1pc90007b>
  • Ivanov Vladimir V., Lyakh Dmitry I., Adamowicz Ludwik: Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives. Phys Chem Chem Phys 2009, 11, 2355. <https://doi.org/10.1039/b818590p>
  • Lyakh Dmitry I., Ivanov Vladimir V., Adamowicz Ludwik: A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states. The Journal of Chemical Physics 2008, 128, 074101. <https://doi.org/10.1063/1.2828548>
  • Lyakh Dmitry I., Ivanov Vladimir V., Adamowicz Ludwik: State-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: dissociation of the N2 molecule. Mole Phys 2007, 105, 1335. <https://doi.org/10.1080/00268970701332539>