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Collect. Czech. Chem. Commun. 2004, 69, 141-176
https://doi.org/10.1135/cccc20040141

Convergence Behavior of Symmetry-Adapted Perturbation Expansions for Excited States. A Model Study of Interactions Involving a Triplet Helium Atom

Michał Przybytek, Konrad Patkowski and Bogumił Jeziorski*

Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland

Crossref Cited-by Linking

  • Tyrcha Bartosz, Brzęk Filip, Żuchowski Piotr S.: Second quantization-based symmetry-adapted perturbation theory: Generalizing exchange beyond single electron pair approximation. The Journal of Chemical Physics 2024, 160. <https://doi.org/10.1063/5.0184750>
  • Hapka Michał, Przybytek Michał, Pernal Katarzyna: Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers. J. Chem. Theory Comput. 2021, 17, 5538. <https://doi.org/10.1021/acs.jctc.1c00344>
  • Patkowski Konrad: Recent developments in symmetry‐adapted perturbation theory. WIREs Comput Mol Sci 2020, 10. <https://doi.org/10.1002/wcms.1452>
  • Hapka Michał, Przybytek Michał, Pernal Katarzyna: Second-Order Dispersion Energy Based on Multireference Description of Monomers. J. Chem. Theory Comput. 2019, 15, 1016. <https://doi.org/10.1021/acs.jctc.8b01058>
  • Patkowski Konrad, Żuchowski Piotr S., Smith Daniel G. A.: First-order symmetry-adapted perturbation theory for multiplet splittings. The Journal of Chemical Physics 2018, 148. <https://doi.org/10.1063/1.5021891>
  • Smith Daniel G. A., Jankowski Piotr, Slawik Michał, Witek Henryk A., Patkowski Konrad: Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies. J. Chem. Theory Comput. 2014, 10, 3140. <https://doi.org/10.1021/ct500347q>
  • Hapka Michał, Chałasiński Grzegorz, Kłos Jacek, Żuchowski Piotr S.: First-principle interaction potentials for metastable He(3S) and Ne(3P) with closed-shell molecules: Application to Penning-ionizing systems. The Journal of Chemical Physics 2013, 139. <https://doi.org/10.1063/1.4812182>
  • Szalewicz Krzysztof: Symmetry‐adapted perturbation theory of intermolecular forces. WIREs Comput Mol Sci 2012, 2, 254. <https://doi.org/10.1002/wcms.86>
  • Patkowski Konrad, Szalewicz Krzysztof, Jeziorski Bogumil: Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory. Theor Chem Acc 2010, 127, 211. <https://doi.org/10.1007/s00214-010-0748-0>
  • Adams William H.: Convergence radii of the polarization expansion of intermolecular potentials. Int J of Quantum Chemistry 2009, 109, 3844. <https://doi.org/10.1002/qua.22411>
  • Żuchowski Piotr S., Podeszwa Rafał, Moszyński Robert, Jeziorski Bogumił, Szalewicz Krzysztof: Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes. The Journal of Chemical Physics 2008, 129. <https://doi.org/10.1063/1.2968556>
  • Patkowski Konrad, Szalewicz Krzysztof, Jeziorski Bogumił: Third-order interactions in symmetry-adapted perturbation theory. The Journal of Chemical Physics 2006, 125. <https://doi.org/10.1063/1.2358353>
  • Patkowski Konrad, Jeziorski Bogumil, Szalewicz Krzysztof: Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion. The Journal of Chemical Physics 2004, 120, 6849. <https://doi.org/10.1063/1.1676119>