382 citations · 2.2k across the 46 of their papers we have counts for
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physics.chem-ph2022★ 3 cited
Eliminating artificial boundary conditions in time-dependent density functional theory using Fourier contour deformation
Jason Kaye, Alex Barnett, Leslie Greengard +2
We present an efficient method for propagating the time-dependent Kohn-Sham equations in free space, based on the recently introduced Fourier contour deformation (FCD) approach. Fo…
physics.chem-ph2021
Correlation-driven sub-3 fs charge migration in ionised adenine
Erik P. Mansson, Simone Latini, Fabio Covito +15
Sudden ionisation of a relatively large molecule can initiate a correlation-driven process dubbed charge migration, where the electron density distribution is expected to rapidly c…