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 …

Electronic excitations: density-functional versus many-body Green's-function approaches

G Onida, L Reining, A Rubio - Reviews of modern physics, 2002 - APS
Electronic excitations lie at the origin of most of the commonly measured spectra. However,
the first-principles computation of excited states requires a larger effort than ground-state …

[图书][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 …

[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 …

Excitation energies from time-dependent density-functional theory

M Petersilka, UJ Gossmann, EKU Gross - Physical review letters, 1996 - APS
A new density-functional approach to calculate the excitation spectrum of many-electron
systems is proposed. It is shown that the full linear density response of the interacting …

Tuned range-separated hybrids in density functional theory

R Baer, E Livshits, U Salzner - Annual review of physical …, 2010 - annualreviews.org
We review density functional theory (DFT) within the Kohn-Sham (KS) and the generalized
KS (GKS) frameworks from a theoretical perspective for both time-independent and time …

Real-time time-dependent electronic structure theory

X Li, N Govind, C Isborn, AE DePrince III… - Chemical …, 2020 - ACS Publications
Real-time electronic structure methods provide an unprecedented view of electron dynamics
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …

Double excitations within time-dependent density functional theory linear response

NT Maitra, F Zhang, RJ Cave, K Burke - The Journal of Chemical …, 2004 - pubs.aip.org
Within the adiabatic approximation, time-dependent density functional theory yields only
single excitations. Near states of double excitation character, the exact exchange …

Density functional theory of time-dependent phenomena

EKU Gross, JF Dobson, M Petersilka - Density Functional Theory II …, 2005 - Springer
A density-functional formalism comparable to the theory of Hohenberg, Kohn and Sham is
developed for electronic systems subject to time-dependent external fields. The formalism …

[图书][B] Density functional theory

EKU Gross, RM Dreizler - 2013 - books.google.com
The first Nato Advanced Studies Institute entirely devoted to density functional theory was
held in Portugal in September 1983. The proceedings of this School, publis hed in early …