Crossref Cited-by Linking logo

Collect. Czech. Chem. Commun. 1997, 62, 829-842
https://doi.org/10.1135/cccc19970829

Comparison of the Brillouin-Wigner Coupled Cluster Theory with the Standard Coupled Cluster Theory. Cancellation of Disconnected Terms in the Brillouin-Wigner Coupled Cluster Theory

Jozef Mášik and Ivan Hubač

Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University,842 15 Bratislava, Slovak Republic

Crossref Cited-by Linking

  • Demel Ondřej, Brandejs Jan, Lang Jakub, Brabec Jiří, Veis Libor, Legeza Örs, Pittner Jiří: Hilbert space multireference coupled cluster tailored by matrix product states. The Journal of Chemical Physics 2023, 159. <https://doi.org/10.1063/5.0174461>
  • Basumallick Suhita, Sajeev Y, Pal Sourav, Vaval Nayana: Negative Ion Resonance States: The Fock-Space Coupled-Cluster Way. J. Phys. Chem. A 2020, 124, 10407. <https://doi.org/10.1021/acs.jpca.0c09148>
  • Lee Joonho, Small David W., Epifanovsky Evgeny, Head-Gordon Martin: Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to Oligoacenes. J. Chem. Theory Comput. 2017, 13, 602. <https://doi.org/10.1021/acs.jctc.6b01092>
  • Perera Ajith, Molt Robert W., Lotrich Victor F., Bartlett Rodney J.: Singlet–triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods. Theor Chem Acc 2014, 133. <https://doi.org/10.1007/s00214-014-1514-5>
  • Lyakh Dmitry I., Bartlett Rodney J.: Algebraic connectivity analysis in molecular electronic structure theory II: total exponential formulation of second-quantised correlated methods. Molecular Physics 2014, 112, 213. <https://doi.org/10.1080/00268976.2013.807946>
  • 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>
  • Zoboki Tamás, Szabados Ágnes, Surján Péter R.: Linearized Coupled Cluster Corrections to Antisymmetrized Product of Strongly Orthogonal Geminals: Role of Dispersive Interactions. J. Chem. Theory Comput. 2013, 9, 2602. <https://doi.org/10.1021/ct400138m>
  • 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>
  • 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>
  • Evangelista Francesco A., Allen Wesley D., Schaefer Henry F.: Coupling term derivation and general implementation of state-specific multireference coupled cluster theories. The Journal of Chemical Physics 2007, 127. <https://doi.org/10.1063/1.2743014>
  • 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>
  • Hubač I., Mach P., Wilson S.: Multireference Brillouin–Wigner coupled cluster (MR‐BWCC) theory applied to the H8 model: Comparison with CCSD(T) theory. Int J of Quantum Chemistry 2005, 104, 387. <https://doi.org/10.1002/qua.20632>
  • Horný Ľuboš, Schaefer Henry F., Hubač Ivan, Pal Sourav: On the single-root approach within the framework of coupled-cluster theory in Fock space. Chemical Physics 2005, 315, 240. <https://doi.org/10.1016/j.chemphys.2005.03.020>
  • Pittner Jiřı́, Gonzalez Haydee Valdés, Gdanitz Robert J, Čársky Petr: The performance of the multireference Brillouin–Wigner coupled cluster singles and doubles method on the insertion of Be into H2. Chemical Physics Letters 2004, 386, 211. <https://doi.org/10.1016/j.cplett.2003.12.082>
  • Pittner Jiřı́: Continuous transition between Brillouin–Wigner and Rayleigh–Schrödinger perturbation theory, generalized Bloch equation, and Hilbert space multireference coupled cluster. The Journal of Chemical Physics 2003, 118, 10876. <https://doi.org/10.1063/1.1574785>
  • 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>
  • Pittner Jiří, Čársky Petr, Hubač Ivan: Four‐ and 8‐reference state‐specific Brillouin–Wigner coupled‐cluster method: Study of the singlet oxygen. Int J of Quantum Chemistry 2002, 90, 1031. <https://doi.org/10.1002/qua.10325>
  • 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>
  • 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>
  • PAVEL MACH JOZEF MASIK JAN URBAN IV: Single-root multireference Brillouin-Wigner coupled-cluster theory. Rotational barrier of the N2H2 molecule. Molecular Physics 1998, 94, 173. <https://doi.org/10.1080/002689798168457>