•Scientific interests
1.Accurate ab initio calculations via MRCI and CCSD(T) methods on small molecules, i.e., diatomic and triatomic molecules including transition metals. (Calculations of excited molecular states and their potential energy curves or surfaces, prediction of the spectra, calculation of the relativistic effects, etc).
2.Study of van der Waals systems, interactions of water with “hydrophobic” organic molecules via MP and CC methods.
3.Study of large systems such as solid state and interactions of small molecules with surfaces mostly via DFT methods.