105 citations · 602 across the 16 of their papers we have counts for
Showing 2016Show all
2 papers · 1 filter
physics.chem-ph2016★ 25 cited
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…
physics.chem-ph2016★ 27 cited
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,…