9 citations · 18 across the 7 of their papers we have counts for
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physics.chem-ph2024★ 6 cited
State-specific density functionals for excited states from ensembles
Tim Gould, Stephen G Dale, Leeor Kronik +1
We present a first principles strategy for developing state-specific density functional approximations for excited states. We first clarify why approaches based on conventional gro…
physics.chem-ph2024★ 9 cited
Stationary conditions for excited states: the surprising impact of density-driven correlations
Tim Gould
Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham re…
physics.chem-ph2024
Non-empirical prediction of the length-dependent ionization potential in molecular chains
Guy Ohad, Michal Hartstein, Tim Gould +2
The ionization potential of molecular chains is well-known to be a tunable nano-scale property that exhibits clear quantum confinement effects. State-of-the-art methods can accurat…