Research Themes
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DFT & DMFT
Development of Density and Density-Matrix Functionals Methods. -
Electron Correlation
Separation of strong and weak correlations, Modeling dispersion.
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Wavefunction Analysis
Aromaticity, Chemical Bonding Descriptors, Electron Sharing Indices (ESIs). -
Molecular Properties
Development of Non-Linear Optical Properties, NLO switches with large vdW interaction.
