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Showing 2005 · cond-mat.otherShow all
2 papers · 2 filters
cond-mat.other2005★ 60 cited
Long-range excitations in time-dependent density functional theory
Neepa T. Maitra, David G. Tempel
Adiabatic time-dependent density functional theory fails for excitations of a heteroatomic molecule composed of two open-shell fragments at large separation. Strong frequency-depen…
cond-mat.other2005★ 15 cited
Continuum states from time-dependent density functional theory
Adam Wasserman, Neepa T. Maitra, Kieron Burke
Linear response time-dependent density functional theory is used to study low-lying electronic continuum states of targets that can bind an extra electron. Exact formulas to extrac…