The paper establishes an exact N-centered ensemble DFT formalism unifying neutral and charged excitations and introduces three practical strategies: weight-dependent scaling of ground-state functionals, quasi-degenerate ensemble perturbation theory, and quantum bath embedding for excited states.
Title resolution pending
3 Pith papers cite this work. Polarity classification is still indexing.
3
Pith papers citing it
citation-role summary
background 2
citation-polarity summary
fields
physics.chem-ph 3roles
background 2polarities
background 2representative citing papers
The post-pulse dipole instability in adiabatic TDDFT is an artifact of the time-propagation method rather than a physical effect.
Dressed TDDFT with a frequency-dependent kernel for double excitations accurately captures non-perturbative strong-field dynamics when embedded in RR-TDDFT.
citing papers explorer
-
Ensemble density functional theory of excited states: Exact N-centered formalism and practical opportunities
The paper establishes an exact N-centered ensemble DFT formalism unifying neutral and charged excitations and introduces three practical strategies: weight-dependent scaling of ground-state functionals, quasi-degenerate ensemble perturbation theory, and quantum bath embedding for excited states.
-
Post-pulse dipole instability in adiabatic TDDFT: fact or artifact?
The post-pulse dipole instability in adiabatic TDDFT is an artifact of the time-propagation method rather than a physical effect.
-
Harnessing dressed time-dependent density functional theory for the non-perturbative regime: Electron dynamics with double excitations
Dressed TDDFT with a frequency-dependent kernel for double excitations accurately captures non-perturbative strong-field dynamics when embedded in RR-TDDFT.