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Collect. Czech. Chem. Commun. 2008, 73, 1415-1436
https://doi.org/10.1135/cccc20081415

A Comparison of Møller-Plesset and Coupled Cluster Linear Response Theory Methods for the Calculation of Dipole Oscillator Strength Sum Rules and C6 Dispersion Coefficients

Ivana Paidarováa,* and Stephan P. A. Sauerb

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 182 23 Prague 8, Czech Republic
b Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark

Crossref Cited-by Linking

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  • Jørgensen Maria W., Faber Rasmus, Ligabue Andrea, Sauer Stephan P. A.: Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods. J. Chem. Theory Comput. 2020, 16, 3006. <https://doi.org/10.1021/acs.jctc.9b01300>
  • Jørgensen Maria W., Sauer Stephan P. A.: Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: Aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D), and SOPPA levels. The Journal of Chemical Physics 2020, 152. <https://doi.org/10.1063/5.0011195>
  • Sauer Stephan P.A., Pitzner-Frydendahl Henrik F., Buse Mogens, Jensen Hans Jørgen Aa., Thiel Walter: Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths. Molecular Physics 2015, 113, 2026. <https://doi.org/10.1080/00268976.2015.1048320>
  • Helgaker Trygve, Coriani Sonia, Jørgensen Poul, Kristensen Kasper, Olsen Jeppe, Ruud Kenneth: Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations. Chem. Rev. 2012, 112, 543. <https://doi.org/10.1021/cr2002239>
  • Falden Heidi H., Falster-Hansen Kasper R., Bak Keld L., Rettrup Sten, Sauer Stephan P. A.: Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons. J. Phys. Chem. A 2009, 113, 11995. <https://doi.org/10.1021/jp9037123>
  • Provasi Patricio F., A. Sauer Stephan P.: Analysis of isotope effects in NMR one-bond indirect nuclear spin–spin coupling constants in terms of localized molecular orbitals. Phys. Chem. Chem. Phys. 2009, 11, 3987. <https://doi.org/10.1039/b819376b>
  • Paidarová Ivana, Čurík Roman, Sauer Stephan P. A.: Calculations of Polarizabilities and Their Gradients for Electron Energy-Loss Spectroscopy. Collect. Czech. Chem. Commun. 2008, 73, 1509. <https://doi.org/10.1135/cccc20081509>