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Electronic Structure Modeling with Strictly Correlated Electrons Density Functional

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Specific programme: German Research Foundation (DFG Research Fellowship)
UPV/EHU Partner Status:  Host Centre
UPV/EHU Supervisor: Angel Rubio
Project start: 01/11/2015
Project end:   31/10/2017

Brief description:  A major activity of the group's research is concerned with the first principles description of light induced processes in molecular nanostructures and solids. Such endeavours are done within the framework of time-dependent density functional theory. However the predictive power of the model relies strongly on the quality of the exchange and correlation functionals we use. The project of the DFG Research Fellow aims to provide novel functionals able to capture strong correlation effects that would allow us to treat properly many processes from charge-transfer to photo- fragmentation and light-induced phase transitions. This line of research fits very nicely with the activities of the research group devoted to the foundations of time dependent density functional theory and many-body theories with applications to 2D materials, Biophysics and strong-light matter interaction and optimal control theory.