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Collect. Czech. Chem. Commun. 1995, 60, 1419-1428
https://doi.org/10.1135/cccc19951419

Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory

Petr Čárskya, Vojtěch Hroudaa, Vladimír Sychrovskýa, Ivan Hubačb, Peter Babinecb, Pavol Machb, Ján Urbanb and Jozef Mášikb

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic
b Division of Chemical Physics, Comenius University, 842 15 Bratislava, Slovak 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>
  • Šimsa Daniel, Demel Ondřej, Bhaskaran-Nair Kiran, Hubač Ivan, Mach Pavol, Pittner Jiří: Multireference coupled cluster study of the oxyallyl diradical. Chemical Physics 2012, 401, 203. <https://doi.org/10.1016/j.chemphys.2011.08.018>
  • Bhaskaran-Nair Kiran, Brabec Jiří, Aprà Edoardo, van Dam Hubertus J. J., Pittner Jiří, Kowalski Karol: Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism. The Journal of Chemical Physics 2012, 137. <https://doi.org/10.1063/1.4747698>
  • Bhaskaran-Nair Kiran, Demel Ondřej, Šmydke Jan, Pittner Jiří: Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation. The Journal of Chemical Physics 2011, 134. <https://doi.org/10.1063/1.3573373>
  • Bhaskaran-Nair Kiran, Demel Ondřej, Pittner Jiří: Multireference Mukherjee’s coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications. The Journal of Chemical Physics 2010, 132. <https://doi.org/10.1063/1.3376053>
  • Demel Ondřej, Bhaskaran-Nair Kiran, Pittner Jiří: Uncoupled multireference state-specific Mukherjee’s coupled cluster method with triexcitations. The Journal of Chemical Physics 2010, 133. <https://doi.org/10.1063/1.3495679>
  • Bhaskaran-Nair Kiran, Demel Ondřej, Pittner Jiří: Multireference state-specific Mukherjee’s coupled cluster method with noniterative triexcitations. The Journal of Chemical Physics 2008, 129. <https://doi.org/10.1063/1.3006401>
  • 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>
  • Teberekidis Vasilios I., Kerkines Ioannis S. K., Tsipis Constantinos A., Čársky Petr, Mavridis Aristides: Ground states of BeC and MgC: A comparative multireference Brillouin–Wigner coupled cluster and configuration interaction study. Int J of Quantum Chemistry 2005, 102, 762. <https://doi.org/10.1002/qua.20379>
  • Kardahakis Stavros, Pittner Jiří, Čársky Petr, Mavridis Aristides: Multireference configuration interaction and coupled‐cluster calculations on the X3Σ−, a1Δ, and b1Σ+ states of the NF molecule. Int J of Quantum Chemistry 2005, 104, 458. <https://doi.org/10.1002/qua.20618>
  • Kerkines Ioannis S. K., Čársky Petr, Mavridis Aristides: A Multireference Coupled-Cluster Potential Energy Surface of Diazomethane, CH2N2. J. Phys. Chem. A 2005, 109, 10148. <https://doi.org/10.1021/jp054530z>
  • 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>
  • Surján Peter R., Kőhalmi Dóra, Szabados Ágnes: Optimized Quasiparticle Energies in Many-Body Perturbation Theory. Collect. Czech. Chem. Commun. 2003, 68, 331. <https://doi.org/10.1135/cccc20030331>
  • 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>
  • Kerkines Ioannis S. K., Pittner Jiřı́, Čársky Petr, Mavridis Aristides, Hubač Ivan: On the ground states of CaC and ZnC: A multireference Brillouin–Wigner coupled cluster study. The Journal of Chemical Physics 2002, 117, 9733. <https://doi.org/10.1063/1.1516809>
  • 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>
  • Hubač Ivan, Pittner Jiřı́, Čársky Petr: Size-extensivity correction for the state-specific multireference Brillouin–Wigner coupled-cluster theory. The Journal of Chemical Physics 2000, 112, 8779. <https://doi.org/10.1063/1.481493>
  • 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>
  • Hubac I, Wilson S: On the use of Brillouin-Wigner perturbation theory for many-body systems. J. Phys. B: At. Mol. Opt. Phys. 2000, 33, 365. <https://doi.org/10.1088/0953-4075/33/3/306>
  • 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>