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Collect. Czech. Chem. Commun. 2008, 73, 1509-1524
https://doi.org/10.1135/cccc20081509

Calculations of Polarizabilities and Their Gradients for Electron Energy-Loss Spectroscopy

Ivana Paidarováa, Roman Čuríka,* 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

  • Beizaei Nazanin, Sauer Stephan P. A.: Benchmarking Correlated Methods for Static and Dynamic Polarizabilities: The T145 Data Set Evaluated with RPA, RPA(D), HRPA, HRPA(D), SOPPA, SOPPA(CC2), SOPPA(CCSD), CC2, and CCSD. J. Phys. Chem. A 2021, 125, 3785. <https://doi.org/10.1021/acs.jpca.1c01931>
  • 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>
  • Sauer Stephan P.A., Paidarová Ivana, Čársky Petr, Čurík Roman: Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations. Eur. Phys. J. D 2016, 70. <https://doi.org/10.1140/epjd/e2016-70084-x>
  • Čurík Roman, Paidarová Ivana, Allan Michael, Čársky Petr: Joint Experimental and Theoretical Study on Vibrational Excitation Cross Sections for Electron Collisions with Diacetylene. J. Phys. Chem. A 2014, 118, 9734. <https://doi.org/10.1021/jp5073186>
  • 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>