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Neepa T. Maitra
Researcher at Rutgers University
Publications - 128
Citations - 5720
Neepa T. Maitra is an academic researcher from Rutgers University. The author has contributed to research in topics: Time-dependent density functional theory & Density functional theory. The author has an hindex of 36, co-authored 121 publications receiving 4936 citations. Previous affiliations of Neepa T. Maitra include Harvard University & City University of New York.
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BookDOI
Fundamentals of time-dependent density functional theory
TL;DR: In this paper, a theory and experiment on TDDFT vs other theoretical techniques is presented. But the authors do not discuss the application of TDDFTs in real-time dynamics.
Journal ArticleDOI
Double excitations within time-dependent density functional theory linear response
TL;DR: This work derives the exact frequency-dependent kernel when a double excitation mixes with a single excitation, well separated from the other excitations, in the limit that the electron--electron interaction is weak.
Journal ArticleDOI
Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function
TL;DR: For the H(2)(+) molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.
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Perspective: Fundamental aspects of time-dependent density functional theory.
TL;DR: This Perspective looks back to some of these developments, reports on some recent progress and current challenges for functionals, and speculates on future directions to improve the accuracy of approximations used in this relatively young theory.
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A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene
TL;DR: In this paper, a frequency-dependent exchange-correlation kernel was proposed for treating doubly excited states of polyenes, and the vertical absorption energy for the 2 1 A g states of butadiene and hexatriene was analyzed.