Publikacje

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



2018
  • M. Witkowski, S. Śmiga, I. Grabowski,
    "Density based analysis of Spin-Resolved MP2 method"
    Adv. Quantum Chem. 76 (2018), 279-293
    DOI: 10.1016/bs.aiq.2017.05.004

  • S. Śmiga, I. Grabowski,
    "The spin-component-scaled ΔMP2 method: towards a simple and reliable method for ionization energies"
    J. Chem. Phys. submitted (2018), XXX-XXX
    DOI: XXX





2017
  • 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

  • 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

  • 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





2016
  • 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

  • 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

  • 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
  • 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

  • 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





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