Understanding polaritonic chemistry from ab initio quantum electrodynamics

M Ruggenthaler, D Sidler, A Rubio - Chemical Reviews, 2023 - ACS Publications
In this review, we present the theoretical foundations and first-principles frameworks to
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …

Progress in time-dependent density-functional theory

ME Casida, M Huix-Rotllant - Annual review of physical …, 2012 - annualreviews.org
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and
Sham in the mid-1960s is based on the idea that the complicated N-electron wave function …

[КНИГА][B] Density functional theory

E Engel - 2011 - Springer
This book emerged from a course on density functional theory (DFT), first given at the
University of Munich more than a decade ago. The course was based on the classic texts by …

Time-dependent density-functional theory: concepts and applications

CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …

Making ab initio QED functional (s): Nonperturbative and photon-free effective frameworks for strong light–matter coupling

C Schäfer, F Buchholz, M Penz… - Proceedings of the …, 2021 - National Acad Sciences
Strong light–matter coupling provides a promising path for the control of quantum matter
where the latter is routinely described from first principles. However, combining the …

Perspective: How to overcome dynamical density functional theory

D de Las Heras, T Zimmermann… - Journal of Physics …, 2023 - iopscience.iop.org
We argue in favour of develo** a comprehensive dynamical theory for rationalizing,
predicting, designing, and machine learning nonequilibrium phenomena that occur in soft …

Time-dependent density functional theory

MAL Marques, EKU Gross - A Primer in Density Functional Theory, 2003 - Springer
Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …

Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications

R Jestädt, M Ruggenthaler, MJT Oliveira… - Advances in …, 2019 - Taylor & Francis
In recent years significant experimental advances in nano-scale fabrication techniques and
in available light sources have opened the possibility to study a vast set of novel light-matter …

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 …

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 …