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 …

Hot electron relaxation dynamics in semiconductors: assessing the strength of the electron–phonon coupling from the theoretical and experimental viewpoints

J Sjakste, K Tanimura, G Barbarino… - Journal of Physics …, 2018 - iopscience.iop.org
The rapid development of the computational methods based on density functional theory, on
the one hand, and of time-, energy-, and momentum-resolved spectroscopy, on the other …

Ultrafast charge ordering by self-amplified exciton–phonon dynamics in TiSe2

C Lian, SJ Zhang, SQ Hu, MX Guan, S Meng - Nature communications, 2020 - nature.com
The origin of charge density waves (CDWs) in TiSe 2 has long been debated, mainly due to
the difficulties in identifying the timescales of the excitonic pairing and electron–phonon …

Time-resolved spectroscopy in time-dependent density functional theory: An exact condition

JI Fuks, K Luo, ED Sandoval, NT Maitra - Physical review letters, 2015 - APS
A fundamental property of a quantum system driven by an external field is that when the field
is turned off the positions of its response frequencies are independent of the time at which …

Numerical pump-probe experiments of laser-excited silicon in nonequilibrium phase

SA Sato, K Yabana, Y Shinohara, T Otobe, GF Bertsch - Physical Review B, 2014 - APS
We calculate the dielectric response of crystalline silicon following irradiation by a high-
intensity laser pulse, modeling the dynamics by the time-dependent Kohn-Sham equations …

Femtosecond time-resolved dynamical Franz-Keldysh effect

T Otobe, Y Shinohara, SA Sato, K Yabana - Physical Review B, 2016 - APS
We theoretically investigate the dynamical Franz-Keldysh effect in femtosecond time
resolution, that is, the time-dependent modulation of a dielectric function at around the band …

Time-dependent density functional theory of high-intensity short-pulse laser irradiation on insulators

SA Sato, K Yabana, Y Shinohara, T Otobe, KM Lee… - Physical Review B, 2015 - APS
We calculate the energy deposition by very short laser pulses in SiO 2 (α-quartz) with a view
to establishing systematics for predicting damage and nanoparticle production. The …

Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory

A Yamada, K Yabana - The European Physical Journal D, 2019 - Springer
Energy transfer processes from a high-intensity ultrashort laser pulse to electrons in simple
dielectrics, silicon, diamond, and α-quartz are theoretically investigated by first-principles …

Electron cooling and debye-waller effect in photoexcited bismuth

B Arnaud, Y Giret - Physical Review Letters, 2013 - APS
By means of first principles calculations, we compute the effective electron-phonon coupling
constant G 0 governing the electron cooling in photoexcited bismuth. G 0 strongly increases …

Kinetic and interaction components of the exact time-dependent correlation potential

K Luo, JI Fuks, ED Sandoval, P Elliott… - The Journal of chemical …, 2014 - pubs.aip.org
The exact exchange-correlation (xc) potential of time-dependent density functional theory
has been shown to have striking features. For example, step and peak features are …