483 citations · 3k across the 70 of their papers we have counts for
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Universal Dynamical Steps in the Exact Time-Dependent Exchange-Correlation Potential
Peter Elliott, Johanna I. Fuks, Angel Rubio +1
We show that the exact exchange-correlation potential of time-dependent density-functional theory displays dynamical step structures that have a spatially non-local and time non-lo…
Fundamentals of Time-Resolved Charge-Transfer in Time-Dependent Density Functional Theory
Johanna I. Fuks, Peter Elliott, Angel Rubio +1
We show that as an electron transfers between closed-shell molecular fragments at large separation, the exact correlation potential of time-dependent density functional theory grad…
Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction
Ali Abedi, Neepa T. Maitra, E. K. U. Gross
It was recently shown [Phys. Rev. Lett. 105, 123002 (2010)] that the complete wavefunction for a system of electrons and nuclei evolving in a time-dependent external potential can…
Propagation of Initially Excited States in Time-Dependent Density Functional Theory
Peter Elliott, Neepa T. Maitra
Many recent applications of time-dependent density functional theory begin in an initially excited state, and propagate it using an adiabatic approximation for the exchange-correla…