CORDIS Project
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This project focuses on enhancing the understanding of materials properties by developing new computational methods based on Time-Dependent Density Functional Theory. It aims to incorporate memory effects in electron dynamics, enabling better predictions of charge and spin dynamics as well as photoabsorption spectra in…
Many materials properties are determined by the dynamics of electrons and spectroscopic features due to electronic excitations.
One of the most efficient approaches to describe these properties in principle is Time-Dependent Density Functional Theory (TDDFT).
In this framework, however, many interesting phenomena, such as Rabi oscillations or satellites in excitation spectra, depend on the history of the evolution of the system in time.
This fact is completely neglected in the most commonly used…
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