Publikacje

Typ publikacji:Wszystko Książka Artykuł Rozdział
Lista filadelfijska:Wszystko Tak Nie  



2018
  • S. Śmiga, I. Grabowski,
    Accurate vertical ionization potentials from spin-component-scaled ΔMP2 method.
    J. Chem. Phys. *submitted* (2018); XXX - XXX

    DOI: XXX





2017
  • S. Śmiga, Eduardo Fabiano, Lucian A. Constantin, Fabio Della Sala,
    Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals
    J. Chem. Phys. *146* (2017); 064105-1 - 064105 -10

    DOI: 10.1063/1.4975092

  • S. Śmiga, Eduardo Fabiano,
    Approximate solution of Coupled Cluster equations: Application to the Coupled Cluster Doubles method and non-covalent interacting systems.
    Phys. Chem. Chem. Phys. *19* (2017); 30249 - 30260

    DOI: 10.1039/C7CP06417A

  • M. Witkowski, S. Śmiga, I. Grabowski,
    Density based analysis of Spin-Resolved MP2 method
    Adv. Quantum Chem. *76* (2017); 1 - 15

    DOI: 10.1016/bs.aiq.2017.05.004

  • Lucian A. Constantin, Eduardo Fabiano, S. Śmiga, Fabio Della Sala,
    Jellium-with-gap model applied to semilocal kinetic functionals
    Phys. Rev. B. *95* (2017); 115153

    DOI: 10.1103/PhysRevB.95.115153





2016
  • S. Śmiga, O. Franck, B. Mussard, A. Buksztel, I. Grabowski, E. Luppi, J. Toulouse,
    Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method
    J. Chem. Phys. *145* (2016); 144102-1 - 144102-12

    DOI: 10.1063/1.4964319

  • S. Śmiga, F. Della Sala, A. Buksztel, I. Grabowski, E. Fabiano,
    Accurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methods
    J Comput Chem *37* (2016); 2081 - 2090

    DOI: 10.1002/jcc.24436

  • A. Buksztel, S. Śmiga, I. Grabowski,
    The correlation effects in density functional theory along the dissociation path
    Adv. Quantum Chem. *73* (2016); 263 - 283

    DOI: 10.1016/bs.aiq.2015.07.002





2015
  • S. Śmiga, Eduardo Fabiano, Savio Laricchia, Lucian A. Constantin, Fabio Della Sala,
    Subsystem density functional theory calculations using meta generalized gradient approximation exchange-correlation functionals
    J. Chem. Phys. *142* (2015); 154121

    DOI: 10.1063/1.4917257





2014
  • S. Śmiga, A. Buksztel, I. Grabowski,
    Density–dependent exchange–correlation potentials derived from highly accurate ab initio calculations
    Adv. Quantum Chem. *68* (2014); 125 - 151

    DOI: 10.1016/B978-0-12-800536-1.00007-1

  • A. Buksztel, S. Śmiga, I. Grabowski,
    OEP Orbitals as a Reference for ab initio Many–Body Calculations
    Adv. Quantum Chem. *68* (2014); 105 - 123

    DOI: 10.1016/B978-0-12-800536-1.00006-X

  • I. Grabowski, E. Fabiano, S. Śmiga, A. Buksztel, A. M. Teale,, F. Della Sala,
    Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method.
    J. Chem. Phys. *141* (2014); 024113-1 - 024113-12

    DOI: 10.1063/1.4887097

  • I. Grabowski, A. M. Teale, E. Fabiano, S. Śmiga, A. Buksztel, F. Della Sala,
    A Density Difference Based Analysis of Orbital–Dependent Exchange–Correlation Functionals
    Mol. Phys. *112* (2014); 700 - 710

    DOI: 10.1080/00268976.2013.854424





2011
  • I. Grabowski, A. Teale, S. Śmiga, R.J. Bartlett,
    Comparing ab initio Density-Functional and Wave Function Theories: The Impact of Correlation on the Electronic Density and the Role of the Correlation Potential
    J. Chem. Phys. *135* (2011); 114111-1 - 114111-12

    DOI: 10.1063/1.3636114