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Collect. Czech. Chem. Commun. 1998, 63, 1213-1222
https://doi.org/10.1135/cccc19981213

Single-Root Multireference Brillouin-Wigner Coupled-Cluster Theory. Rotational Barrier of the Ethylene Molecule

Jozef Mášika, Pavel Macha, Ján Urbana, Martin Polášekb, Peter Babineca and Ivan Hubača,b

a Department of Chemical Physics, Comenius University, 842 15 Bratislava, Slovak Republic
b Faculty of Science, Silesian University, 746 01 Opava, Czech Republic

Crossref Cited-by Linking

  • Aksu H.: An alternative approximation to state-specific multireference second-order Brillouin-Wigner perturbation theory: size-extensivity correction. Theor Chem Acc 2013, 132. <https://doi.org/10.1007/s00214-012-1325-5>
  • Aksu Hüseyin: Second-order Brillouin-Wigner perturbation theory: size-extensivity correction. Theor Chem Acc 2012, 131. <https://doi.org/10.1007/s00214-012-1285-9>
  • Papp P., Mach P., Pittner J., Huba[cbreve] I., Wilson S.: Many-body Brillouin–Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH. Molecular Physics 2006, 104, 2367. <https://doi.org/10.1080/00268970600662499>
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  • HUBA[Cbreve] I., MACH P., WILSON S.: A posterioriBrillouin—Wigner correction of limited multireference configuration interaction: analysis for an (H2)4cluster model. Molecular Physics 2003, 101, 3493. <https://doi.org/10.1080/00268970310001640201>
  • Hubac̆ I., Mach P., Wilson S.: A posteriori corrections to multireference limited configuration interaction based on a Brillouin–Wigner perturbative analysis. Int J of Quantum Chemistry 2002, 89, 198. <https://doi.org/10.1002/qua.10288>
  • Petraco Nicholas D. K., Horný Ľuboš, Schaefer Henry F., Hubač Ivan: Brillouin–Wigner coupled cluster theory. Fock-space approach. The Journal of Chemical Physics 2002, 117, 9580. <https://doi.org/10.1063/1.1516802>
  • HUBAČ I., MACH P., WILSON S.: On the application of Brillouin—Wigner perturbation theory to multireference configuration mixing. Molecular Physics 2002, 100, 859. <https://doi.org/10.1080/00268970110098694>
  • Hubac I, Wilson S: On the generalized multi-reference Brillouin-Wigner coupled cluster theory. J. Phys. B: At. Mol. Opt. Phys. 2001, 34, 4259. <https://doi.org/10.1088/0953-4075/34/21/314>
  • Quiney H M, Hubac I, Wilson S: On the application of Brillouin-Wigner perturbation theory to a relativistic and non-relativistic hydrogenic model problem. J. Phys. B: At. Mol. Opt. Phys. 2001, 34, 4323. <https://doi.org/10.1088/0953-4075/34/22/304>
  • Pittner Jiří, Demel Ondřej, Čársky Petr, Hubač Ivan: Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule. IJMS 2001, 2, 281. <https://doi.org/10.3390/i2060281>
  • Hubac I, Mach P, Wilson S: On the use of limited configuration interaction for many-body systems. J. Phys. B: At. Mol. Opt. Phys. 2000, 33, 4735. <https://doi.org/10.1088/0953-4075/33/21/317>
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  • Pittner Jiřı́, Nachtigall Petr, Čársky Petr, Mášik Jozef, Hubač Ivan: Assessment of the single-root multireference Brillouin–Wigner coupled- cluster method: Test calculations on CH2, SiH2, and twisted ethylene. The Journal of Chemical Physics 1999, 110, 10275. <https://doi.org/10.1063/1.478961>