TDDFT with the local density approximation reproduces charge migration from HOMO ionization if involved states are well described, but introduces artificial ultrafast dynamics for ionization of lower orbitals.
and Andrade, Xavier and Marques, Miguel A
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Real-time simulation of charge migration within the time-dependent Kohn-Sham DFT
TDDFT with the local density approximation reproduces charge migration from HOMO ionization if involved states are well described, but introduces artificial ultrafast dynamics for ionization of lower orbitals.