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





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
  • 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, 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

  • 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

  • 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

  • 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

  • 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





2013
  • 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

  • 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





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
  • 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

  • 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

  • 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

  • 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

  • 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





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

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

  • 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
  • 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

  • M. Górecka, I. Grabowski, A. Kejna, P. Konstanty,
    "Zbiór zadań maturalnych z rozwiązaniami", A. Marszałek, Toruń, Toruń (1992)
    ISBN: BRAK