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Resonances

Partition Theory

Attosecond Chemistry



The Suspenders' Research

 
resonances

Resonances

We develop new techniques based on DFT and TDDFT to calculate energies and lifetimes of negative-ion resonances.

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Partition Theory

How to divide a molecule into smaller pieces?

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Attosecond chemistry

We study what goes on in Chemistry at the attosecond time-scale, and develop new theoretical tools for efficient calculation of various time-dependent properties.

Our main goal is to gain fundamental understanding regarding the role that electron-electron interactions play in chemistry, and to develop new theoretical tools that help guiding and interpreting experiments where electron correlations are essential. We work on extending the range of applicability of time-dependent density functional methods (TDDFT) to the calculation of energies and lifetimes of resonances, conductance through molecular wires, response of molecules to strong laser fields, and signatures of interaction-induced chaos.

We are also interested in the foundations of chemical reactivity theory (CRT) and understanding the way in which classic chemical concepts like electronegativity and hardness emerge from basic quantum mechanics. Within the framework of TDDFT, we are exploring possible time-dependent extensions of CRT in order to study electron excitation processes at the femtosecond time-scale.