371 citations · 2.2k across the 40 of their papers we have counts for
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physics.atom-ph2023★ 8 cited
Tracking Charge Migration with Frequency-Matched Strobo-Spectroscopy
Kyle A. Hamer, Aderonke S. Folorunso, Kenneth Lopata +3
We present frequency-matched strobo-spectroscopy (FMSS) of charge migration (CM) in bromobutadiyne, simulated with time-dependent density-functional theory. CM+FMSS is a pump-probe…
physics.comp-ph2023★ 3 cited
Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules
Francois Mauger, Cristel Chandre, Mette B. Gaarde +2
We revisit Kohn-Sham time-dependent density-functional theory (TDDFT) equations and show that they derive from a canonical Hamiltonian formalism. We use this geometric description…