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
  • 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





2016
  • 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

  • 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





2015
  • E. Fabiano, F. Della Sala, I. Grabowski,
    Accurate non-covalent interaction energies via an efficient MP2 scaling procedure
    Chem. Phys. Lett. *635* (2015); 262 - 267

    DOI: 10.1016/j.cplett.2015.06.082





2014
  • I. Grabowski, Barbara Kamińska,
    Kopia bezpieczeństwa danych elektronicznych jako podstawowy element Systemu Zarządzania Bezpieczeństwem Informacji w Firmie
    Przedsiębiorczość i Zarządzanie *Tom XV Zeszyt 9* (2014); 115 - 128

  • 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

  • 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

  • S. Hirata, I. Grabowski,
    On the mutual exclusion of variationality and size consistency
    Theor. Chem. Acc. *133* (2014); 1440:1 - 1440:9

    DOI: 10.1007/s00214-013-1440-y

  • 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





2013
  • I. Grabowski, E. Fabiano, F. Della Sala,
    Simple non–empirical procedure for spin–component–scaled MP2 methods applied to the calculation of dissociation energy curve of noncovalently–interacting systems.
    Phys. Chem. Chem. Phys. *15 (37)* (2013); 15485 - 15493

    DOI: 10.1039/C3CP51431E

  • I. Grabowski, E. Fabiano, F. Della Sala,
    Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory
    Phys. Rev. B. *87* (2013); 075103-1 - 075103-6

    DOI: 10.1103/PhysRevB.87.075103





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





2010
  • I. Grabowski, V. Lotrich, S. Hirata,
    Ab initio DFT - the seamless connection between WFT and DFT.
    Mol. Phys. *108* (2010); 3313 - 3322

    DOI: 10.1080/00268976.2010.523441

  • K. Jankowski, K. Nowakowski, I. Grabowski, J. Wasilewski,
    Ab initio dynamic correlation effects in density functional theories: a density based study for argon
    Theor. Chem. Acc. *125* (2010); 433 - 444

    DOI: 10.1007/s00214-009-0638-5





2009
  • K. Jankowski, K. Nowakowski, I. Grabowski, J. Wasilewski,
    Coverage of dynamic correlation effects by density functional theory functionals: Density-based analysis for neon.
    J. Chem. Phys. *130* (2009); 164102-1 - 164102-9

    DOI: 10.1063/1.3116157





2008
  • I. Grabowski,
    Comparison of second-order orbital-dependent DFT correlation functionals
    Int. J. Quantum Chem. *108* (2008); 2076 - 2087

    DOI: 10.1002/qua.21721





2007
  • I. Grabowski, V. Lotrich, R. J. Bartlett,
    Ab initio density functional theory applied to quasidegenerate problems
    J. Chem. Phys. *127* (2007); 154111 - 154121

    DOI: 10.1063/1.2790013





2005
  • I. Grabowski, V. Lotrich,
    Acurate orbital-dependent correlation and exchange-correlation potential from noniterative ab initio dft.
    Mol. Phys. *103* (2005); 2085 - 2092

    DOI: 10.1080/00268970500131462

  • R. J. Bartlett, I. Grabowski, S. Hirata, S. Ivanov,
    The Exchange-Correlation Potential in ab initio Density Functional Theory.
    J. Chem. Phys. *122* (2005); 034104-1 - 034104-12

    DOI: 10.1135/cccc20051157

  • K. Jankowski, I. Grabowski, K. Nowakowski, J. Wasilewski,
    Ab initio correlation effects in density functional theories: An electron-density distribution based study for neon.
    Collect. Czech. Chem. Commun. * 70(8)* (2005); 1157 - 1168

    DOI: 10.1135/cccc20051157

  • V. Lotrich, R. J. Bartlett, I. Grabowski,
    Intermoloecular potential energy surfaces of weakly bound dimers computed from ab initio dft: the right answer for the right reason.
    Chem. Phys. Lett. *405* (2005); 43 - 48

    DOI: 10.1016/j.cplett.2005.01.066

  • S. Hirata, S. Ivanov, R. J. Bartlett, I. Grabowski,
    Exact-Exchange time dependent density functional theory for static and dynamic polarizabilities.
    Phys. Rev. A. *71* (2005); 032507-1 - 032507-7

    DOI: 10.1103/PhysRevA.71.032507





2003
  • S. Ivanov, S. Hirata, I. Grabowski, R. J. Bartlett,
    Connections between Second-Order Gorling-Levy and Many Body perturbation Approaches in Density Functional Theory
    J. Chem. Phys. *118* (2003); 461 - 470

    DOI: 10.1063/1.1522570





2002
  • I. Grabowski, S. Hirata, S. Ivanov, R. J. Bartlett,
    Ab-initio density functional theory: OEP-MBPT(2) – a new orbital-dependent correlation functional
    J. Chem. Phys. *116* (2002); 4415 - 4425

    DOI: 10.1063/1.1445117

  • S. Hirata, S. Ivanov, I. Grabowski, R. J. Bartlett,
    Time-dependent density functional theory employing optimized effective potentials
    J. Chem. Phys. *116* (2002); 6468 - 6481

    DOI: 10.1063/1.1460869





2001
  • S. Hirata, I. Grabowski, M. Tobita, R. J. Bartlett,
    Highly accurate treatment of electron correlation in polymers: coupled-cluster and many-body perturbation theories
    Chem. Phys. Lett. *345* (2001); 475 - 480

  • S. Hirata, S. Ivanov, I. Grabowski, R. J. Bartlett, K. Burke , J. Talman,
    Is an OEP potential determined uniquely?
    J. Chem. Phys. *115* (2001); 1635 - 1649

  • S. Hirata, M. Nooijen, I. Grabowski, R. J. Bartlett,
    Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis
    J. Chem. Phys. *114* (2001); 3919 - 3927





2000
  • X. Li, I. Grabowski, K. Jankowski, J. Paldus,
    Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost--Linear Coupled-Cluster Methods with Singles and Doubles
    Adv. Quantum Chem. *36* (2000); 231 - 244





1999
  • K. Jankowski, I. Grabowski, K. Kowalski, A. Sadlej,
    A perturbative approach to the almost--linear coupled—cluster formalism.
    Chem. Phys. Lett. *311* (1999); 265

  • L. Meissner, I. Grabowski,
    A Coupled Cluster Correction to the Multi--Reference Configuration Interaction Method
    Chem. Phys. Lett. *300* (1999); 53

  • K. Jankowski, K. Kowalski, I. Grabowski, H. J. Monkhorst,
    Correspondence between physical states and solutions to the coupled-cluster equations
    Int. J. Quantum Chem. *75* (1999); 483 - 496





1998
  • I. Grabowski, K. Kowalski, K. Jankowski,
    Applicability of the Almost-Linear Coupled-Cluster Method to Nondynamically Correlated States
    Pol. J. Chem. *72* (1998); 1411

  • K. Jankowski, I. Grabowski, K. Kowalski,
    Approximate coupled-cluster methods employing split cluster amplitudes. Implementation of an almost-linear coupled-cluster formalism
    J. Chem. Phys. * 109* (1998); 6255





1995
  • K. Jankowski, I. Grabowski,
    Performance of Valence--Universal Multireference Coupled Cluster Theory for Quasi-Degenerate States: The H8 and DZP H4 Models
    Int. J. Quantum Chem. *55* (1995); 205





1994
  • K. Jankowski, J. Paldus, I. Grabowski, K. Kowalski,
    Applicability of valence-universal multireference coupled-cluster theories to quasidegenerate electronic states.II. Models involving three-body amplitudes.
    J. Chem. Phys. *101* (1994); 3085





1992
  • M. Górecka, I. Grabowski, A. Kejna, P. Konstanty,
    Zbiór zadań maturalnych z rozwiązaniami (1992)

  • K. Jankowski, J. Paldus, I. Grabowski, K. Kowalski,
    Applicability of valence-universal multireference coupled-cluster theories to quasidegenerate electronic states.I. Models involving at most two-body amplitudes.
    J. Chem. Phys. *97* (1992); 7600