Understanding polaritonic chemistry from ab initio quantum electrodynamics
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 …
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …
Progress in time-dependent density-functional theory
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 …
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 …
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 …
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
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 …
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 …
predicting, designing, and machine learning nonequilibrium phenomena that occur in soft …
Time-dependent density functional theory
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 …
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
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 …
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
Time-dependent density functional theory (TDDFT) is presently enjoying enormous
popularity in quantum chemistry, as a useful tool for extracting electronic excited state …
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
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 …
wide range of fields exploring myriad applications involving electronic spectra and …