Irek Grabowski

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 prof. dr hab. Ireneusz Grabowski  

Nicolaus Copernicus University   Toruń   Poland
Faculty of Physics, Astronomy  and  Informatics
Institute of Physics
Department of Quantum Physics 

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News

 

new pictures: Peruvian Andes 2016Cordillera Blanca  Tatry_Orla_Perć_2016   High  Tatras May 2016    Hunagshan Mountains China 2015   High Tatra May 2014 

My favorite trips - Himalaya trekking 2012- Langtang - Cherkori 4948m     Peruvian Andes 2016Cordillera Blanca

Latest publications:                  Google Scholar        

 

 

  • 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
  • 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 2081 - 2090 (2016)
  • A. Buksztel, S. Śmiga, I. Grabowski, The correlation effects in density functional theory along the dissociation path. Adv. Quantum Chem. 73 263 - 283 (2016)
  • E. Fabiano, F. Della Sala, I. Grabowski, Accurate non-covalent interaction energies via an efficient MP2 scaling procedure, Chem. Phys. Lett. 635; 262 - 267 (2015)
  • I. Grabowski, Eduardo Fabiano, S. Śmiga, A. Buksztel, Andrew M. Teale,, Fabio Della Sala, Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method. J. Chem. Phys. 141,24113-1 (2014)
  • So Hirata, I. Grabowski, On the mutual exclusion of variationality and size consistency Theor. Chem. Acc. ,133, 1440:1 - 1440:9 (2014)
  • A. Buksztel, S. Śmiga, I. Grabowski, OEP Orbitals as a Reference for ab initio Many–Body Calculations, Adv. Quantum Chem. 67, 105 (2014)
  • S. Śmiga, A. Buksztel, I. Grabowski, Density–dependent exchange–correlation potentials derived from highly accurate ab initio calculations, Adv. Quantum Chem. 67, 125 (2014)
  • I. Grabowski, Andrew M. Teale, Eduardo Fabiano, S. Śmiga, A. Buksztel, Fabio Della Sala, A Density Difference Based Analysis of Orbital–Dependent Exchange–Correlation Functionals Mol. Phys. 112, 700, (2014)
  • 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
  • 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

 All publications

 

Plan:

 

 
Research fields

New methods development in
quantum chemistry and physics
Many-electron theory 
    - Electron correlation
    - Density Functional Theory
    - Orbital dependent functionals and potentials
    - Optimized Effective Potential Method (OEP)
    - Coupled Cluster Method
    - Many-Body Perturbation Theory 
    - Spina-Scaled-Component MP2 method
    - Non-covalently interacting systems

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