483 citations · 3k across the 70 of their papers we have counts for
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On the density-potential mapping in time-dependent density functional theory
Neepa T. Maitra, Tchavdar N. Todorov, Chris Woodward +1
The key questions of uniqueness and existence in time-dependent density functional theory are usually formulated only for potentials and densities that are analytic in time. Simple…
Phase-Space Explorations in Time-Dependent Density Functional Theory
Arun K. Rajam, Paul Hessler, Christian Gaun +1
We discuss two problems which are particularly challenging for approximations in time-dependent density functional theory (TDDFT) to capture: momentum-distributions in ionization p…
Autoionizing Resonances in Time-Dependent Density Functional Theory
August J. Krueger, Neepa T. Maitra
Autoionizing resonances that arise from the interaction of a bound single-excitation with the continuum can be accurately captured with the presently used approximations in time-de…
Revisiting Molecular Dissociation in Density Functional Theory: A Simple Model
David G. Tempel, Todd J. Martinez, Neepa T. Maitra
A two-electron one-dimensional model of a heteroatomic molecule composed of two open-shell atoms is considered. Including only two electrons isolates and examines the effect that t…
Comment on ``Analysis of Floquet formulation of time-dependent density-functional theory'' [Chem. Phys. Lett. {\bf 433} (2006), 204]
Neepa T. Maitra, Kieron Burke
We discuss the relationship between modern time-dependent density functional theory and earlier time-periodic versions, and why the criticisms in a recent paper (Chem. Phys. Lett.…
An improved exchange-correlation potential for polarizability and dissociation in DFT
Neepa T. Maitra, Meta van Faassen
We propose a novel approach to the problem of polarizabilities and dissociation in electric fields from the static limit of the Vignale-Kohn (VK) functional. We consider the respon…