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Offer description Four-year Ph.D. position starting October 1. 2021, available in the Institute of Physics Nicolaus Copernicus University in Toruń, Poland under PRELUDIUM BIS-2 Project No. 2020/39/O/ST4/00005 entitled “From Coupled Cluster theory to accurate semi-local Kohn-Sham correlation functional” (leader prof. dr. hab. Ireneusz Grabowski
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Latest publications: Google Scholar - S. Śmiga, Sylwia Siecińska, I. Grabowski
"From simple molecules to nanotubes. Reliable predictions of ionization potentials from the ∆MP2-SCS methods."
New J. Phys. 22 (2020), 083084-1 - S. Śmiga, I. Grabowski, Mateusz Witkowski, Bastien Mussard, Julien Toulouse
"Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method"
J. Chem. Theory Comput. 16 (2020), 211-223 - S. Śmiga, Volodymyr Marusiak, I. Grabowski, Eduardo Fabiano
"The ab initio density functional theory applied for spin-polarized calculations"
J. Chem. Phys. 152 (2020), 054109 - Eduardo Fabiano, S. Śmiga, Sara Giarrusso, Tim Daas, Fabio Della Sala, I. Grabowski, Paola Gori-Giorgi
"Investigation of the exchange-correlation potential of functionals based on the adiabatic connection interpolation"
J. Chem. Theory Comput. 15 (2019), 1006-1015 - S. Śmiga, I. Grabowski
"The spin-component-scaled ΔMP2 parametrization: towards a simple and reliable method for ionization energies"
J. Chem. Theory Comput. 14 (2018), 4780-4790
All publications |
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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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Czytaj
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prof. dr hab. Ireneusz Grabowski