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physics.chem-ph2021
RhoDyn: a -TD-RASCI framework to study ultrafast electron dynamics in molecules
Vladislav Kochetov, Sergey I. Bokarev
This article presents the program module \texttt{RhoDyn} as part of the \texttt{OpenMolcas} project intended to study ultrafast electron dynamics within the density-matrix-based ti…
physics.chem-ph2020★ 8 cited
Effect of chemical structure on the ultrafast spin dynamics in core-excited states
Vladislav Kochetov, Huihui Wang, Sergey I. Bokarev
Recent developments of the sources of intense and ultrashort X-ray pulses stimulate theoretical studies of phenomena occurring on ultrafast timescales. In the present study, spin-f…