2 undergraduate student scholarships (each 12 months, 1000PLN/month), financed by NCN (grant OPUS14), a work will be related
to study of large molecules through molecular fragmentation approaches
T. Korona, B. Jeziorski, and R.
Moszynski, Convergence of Symmetry-Adapted
Perturbation Theory for the Interaction between Helium Atoms and
between
a Hydrogen Molecule and a Helium Atom, Adv. Quantum Chem. 28,
172-189 (1997).
T. Korona, H.L. Williams, R.
Bukowski, B.
Jeziorski, and K. Szalewicz, Helium
Dimer Potential from Symmetry-Adapted Perturbation Theory Calculations
using Large Gaussian and Orbital Basis Sets, J. Chem. Phys. 106,
5109-5122 (1997).
T. Korona, and H.-J. Werner, Local
Treatment of Electron Excitations
in the EOM-CCSD Method, J. Chem. Phys. 118, 3006-3019
(2003).
T. Korona, M. Przybytek, and B.
Jeziorski, Time-independent coupled cluster theory of the
polarization propagator. Implementation and application of the singles
and doubles model to dynamic polarizabilities and van der Waals
constants , Mol. Phys. 104, 2303-2316 (2006).
T.
Korona, Two-particle density
matrix cumulant of coupled cluster theory, Phys. Chem. Chem.
Phys. 10, 5698-5705 (2008).
T.
Korona, A. Heßelmann, and H. Dodziuk,
Symmetry-Adapted Perturbation Theory Applied
to Endohedral Fullerene Complexes:
A Stability Study of H2@C60 and 2H2@C60,
J. Chem. Theory Comp. 5, 1585-1596 (2009)
T. Korona A coupled cluster treatment of intramonomer electron correlation within symmetry-adapted perturbation theory -
benchmark calculations and a comparison with a density-functional theory description
Mol. Phys., 111, 3705-3715, 2013