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 …
Electronic excitations: density-functional versus many-body Green's-function approaches
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 …
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 …
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 …
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 …
systems is proposed. It is shown that the full linear density response of the interacting …
Tuned range-separated hybrids in density functional theory
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 …
KS (GKS) frameworks from a theoretical perspective for both time-independent and time …
Real-time time-dependent electronic structure theory
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 …
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
Within the adiabatic approximation, time-dependent density functional theory yields only
single excitations. Near states of double excitation character, the exact exchange …
single excitations. Near states of double excitation character, the exact exchange …
Density functional theory of time-dependent phenomena
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 …
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 …
held in Portugal in September 1983. The proceedings of this School, publis hed in early …