105 citations · 602 across the 16 of their papers we have counts for
9 papers · 1 filter
Exploring non-adiabatic approximations to the exchange-correlation functional of TDDFT
Johanna I. Fuks, Lionel Lacombe, Soeren E. B. Nielsen +1
A decomposition of the exact exchange-correlation potential of time-dependent density functional theory into an interaction component and a kinetic component offers a new starting…
Studies of Spuriously Shifting Resonances in Time-dependent Density Functional Theory
Kai Luo, Johanna I. Fuks, Neepa T. Maitra
Adiabatic approximations in time-dependent density functional theory (TDDFT) will in general yield unphysical time-dependent shifts in the resonance positions of a system driven fa…
Time-Dependent Density Functional Theory Beyond Kohn-Sham Slater Determinants
Johanna I. Fuks, Soeren E. B. Nielsen, Michael Ruggenthaler +1
When running time-dependent density functional theory (TDDFT) calculations for real-time simulations of non-equilibrium dynamics, the user has a choice of initial Kohn-Sham state,…
Exact Maps in Density Functional Theory for Lattice Models
Tanja Dimitrov, Heiko Appel, Johanna I. Fuks +1
In the present work, we employ exact diagonalization for model systems on a real-space lattice to explicitly construct the exact density-to-potential and for the first time the exa…
Time-resolved spectroscopy in time dependent density functional theory: An exact condition
Johanna I. Fuks, Kai Luo, Ernesto D. Sandoval +1
A fundamental property of a quantum system driven by an external field is that when the field is turned off the positions of its response frequencies are independent of the time at…
Challenging Adiabatic Time-dependent Density Functional Theory with a Hubbard Dimer: The Case of Time-Resolved Long-Range Charge Transfer
Johanna I. Fuks, Neepa T. Maitra
We explore an asymmetric two-fermion Hubbard dimer to test the accuracy of the adiabatic approximation of time-dependent density functional theory in modelling time-resolved charge…