Research Activity

My research activity mainly focuses on the theoretical study of structural, electronic and optical properties of nanostructures, clusters and complexes. I work on the description of complex systems of both fundamental and applied interest. My calculations are based on ab initio quantum chemistry calculations (mainly DFT and TDDFT, but also CASSCF, MRCI, MP2, CC). I also develop empirical potentials to investigate specific systems or particular properties.

You will find at the link "cours HF DFT TDDFT" a course about ab initio methods including HF, post-HF, DFT, and TDDFT.

Here are some of my recent investigations (most often in collaboration with experimentalists).

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