A brief compendium of time-dependent density functional theory

CA Ullrich, Z Yang - Brazilian Journal of Physics, 2014 - Springer
Time-dependent density functional theory (TDDFT) is a formally exact approach to the time-
dependent electronic many-body problem which is widely used for calculating excitation …

Non-adiabatic approximations in time-dependent density functional theory: progress and prospects

L Lacombe, NT Maitra - npj Computational Materials, 2023 - nature.com
Time-dependent density functional theory continues to draw a large number of users in a
wide range of fields exploring myriad applications involving electronic spectra and …

[HTML][HTML] Perspective: Fundamental aspects of time-dependent density functional theory

NT Maitra - The Journal of Chemical Physics, 2016 - pubs.aip.org
In the thirty-two years since the birth of the foundational theorems, time-dependent density
functional theory has had a tremendous impact on calculations of electronic spectra and …

Excited states from time-dependent density functional theory

P Elliott, K Burke, F Furche - arXiv preprint cond-mat/0703590, 2007 - arxiv.org
Time-dependent density functional theory (TDDFT) is presently enjoying enormous
popularity in quantum chemistry, as a useful tool for extracting electronic excited state …

A perspective on nonresonant and resonant electronic response theory for time-dependent molecular properties

P Norman - Physical chemistry chemical physics, 2011 - pubs.rsc.org
The development of electronic response theory in quantum chemistry has been reviewed,
starting from the early 1970's and reaching the current state-of-the-art. The general theory …

Adiabatic approximation in nonperturbative time-dependent density-functional theory

M Thiele, EKU Gross, S Kümmel - Physical review letters, 2008 - APS
We construct the exact exchange-correlation potential of time-dependent density-functional
theory and the approximation to it that is adiabatic but exact otherwise. For the strong-field …

Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation

C Shepard, R Zhou, DC Yost, Y Yao… - The Journal of Chemical …, 2021 - pubs.aip.org
We give a perspective on simulating electronic excitation and dynamics using the real-time
propagation approach to time-dependent density functional theory (RT-TDDFT) in the plane …

Real-time time-dependent density functional theory for simulating nonequilibrium electron dynamics

J Xu, TE Carney, R Zhou, C Shepard… - Journal of the American …, 2024 - ACS Publications
The explicit real-time propagation approach for time-dependent density functional theory
(RT-TDDFT) has increasingly become a popular first-principles computational method for …

Examining real-time time-dependent density functional theory nonequilibrium simulations for the calculation of electronic stopping power

DC Yost, Y Yao, Y Kanai - Physical Review B, 2017 - APS
In ion irradiation processes, electronic stopping power describes the energy transfer rate
from the irradiating ion to the target material's electrons. Due to the scarcity and significant …

Relativistic time-dependent density functional theories

W Liu, Y Xiao - Chemical Society Reviews, 2018 - pubs.rsc.org
The foundations, formalisms, technicalities, and practicalities of relativistic time-dependent
density functional theories (R-TD-DFT) for spinor excited states of molecular systems …