483 citations · 3k across the 70 of their papers we have counts for
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Exact factorization of the time-dependent electron-nuclear wavefunction
Ali Abedi, Neepa T. Maitra, E. K. U. Gross
We present an exact decomposition of the complete wavefunction for a system of nuclei and electrons evolving in a time-dependent external potential. We derive formally exact equati…
Comment on "Critique of the foundations of time-dependent density functional theory" [Phys. Rev.A. 75, 022513 (2007)]
Neepa T. Maitra, Kieron Burke, Robert van Leeuwen
A recent paper (Phys. Rev A. 75, 022513 (2007), arXiv:cond-mat/0602020) challenges exact time-dependent density functional theory (TDDFT) on several grounds. We explain why these c…
Investigating interaction-induced chaos using time-dependent density functional theory
Adam Wasserman, Neepa T. Maitra, Eric J. Heller
Systems whose underlying classical dynamics are chaotic exhibit signatures of the chaos in their quantum mechanics. We investigate the possibility of using time-dependent density f…
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…
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…