Hauge, Eirill Strand; Kristiansen, Håkon Emil; Konecny, Lukas; Kadek, Marius; Repisky, Michal; Pedersen, Thomas Bondo (Journal article; Tidsskriftartikkel; Peer reviewed, 2023)
We present a novel function fitting method for approximating the propagation of the time-dependent electric dipole moment from real-time electronic structure calculations. Real-time calculations of the electronic absorption spectrum require discrete Fourier transforms of the electric dipole moment. The spectral resolution is determined by the total propagation time, i.e. the trajectory length of the ...