M.Sc. Johanna Fuks

Other Ministerio de Ciencia

Research Overview: Ground state and time dependent density functional theory (DFT and TDDFT): study of the goodness of some local approximations using as benchmark exact solvable many-body problems.
The objects of study are many-electron (2-4) exact solvable systems in one dimension, lattice models and three dimensional molecules described by pseudopotentials.
Within TDDFT study of memory effects by comparison of exact solvable models with real-time adiabatic propagation and in particular study of the exact adiabatic approximation and impact of the missing time non-locality to describe resonant field dynamics on observables like dipole moment and populations.
Study of the exact time-dependent Kohn Sham potential for charge transfer and local excitations, development of step and peak features in time.
Within DFT construction of a non-local density functional for ground state DFT using a tensor approach.

Fundamentals of Time-Resolved Charge-Transfer in Time-Dependent Density Functional Theory: Johanna I. Fuks, Peter Elliott, Angel Rubio, Neepa T. Maitra
Journal Of Physical Chemistry Letters 4, 735 - 739 (2013)
Universal Dynamical Steps in the Exact Time-Dependent Exchange-Correlation Potential: Peter Elliott, Johanna I. Fuks, Angel Rubio, Neepa T. Maitra
Physical Review Letters 109, 266404 (2012)