[HTML][HTML] Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions
Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating
various properties of solids as, for instance, the total energy, the electron density, or the …
various properties of solids as, for instance, the total energy, the electron density, or the …
SALMON: Scalable ab-initio light–matter simulator for optics and nanoscience
Abstract SALMON (Scalable Ab-initio Light–Mattersimulator for Optics and Nanoscience,
http://salmon-tddft. jp) is a software package for the simulation of electron dynamics and …
http://salmon-tddft. jp) is a software package for the simulation of electron dynamics and …
Ultrafast charge ordering by self-amplified exciton–phonon dynamics in TiSe2
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 …
the difficulties in identifying the timescales of the excitonic pairing and electron–phonon …
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
The interaction of laser fields with solid-state systems can be modeled efficiently within the
velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT) …
velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT) …
Mixing periodic topographies and structural patterns on silicon surfaces mediated by ultrafast photoexcited charge carriers
Ultrafast laser irradiation of silicon can significantly modify charge densities and optical
indices, impacting the formation and the development of nanoscale-arranged periodic …
indices, impacting the formation and the development of nanoscale-arranged periodic …
Role of Van Hove singularities and effective mass anisotropy in polarization-resolved high harmonic spectroscopy of silicon
P Suthar, F Trojánek, P Malý, TJY Derrien… - Communications …, 2022 - nature.com
Nonlinear optical response of materials exposed to strong nonresonant light fields leads to
production of high energy photons whose spectra contain fingerprints of the coherent …
production of high energy photons whose spectra contain fingerprints of the coherent …
Benchmarking Functionals for Strong-Field Light-Matter Interactions in Adiabatic Time-Dependent Density Functional Theory
O Neufeld, N Tancogne-Dejean… - The Journal of Physical …, 2024 - ACS Publications
In recent years, time-dependent density functional theory (TDDFT) has been extensively
employed for highly nonlinear optics in molecules and solids, including high harmonic …
employed for highly nonlinear optics in molecules and solids, including high harmonic …
Laser-controlled charge transfer in a two-dimensional organic/inorganic optical coherent nanojunction
Understanding the fundamental mechanisms ruling laser-induced coherent charge transfer
in hybrid organic/inorganic interfaces is of paramount importance to exploit these systems in …
in hybrid organic/inorganic interfaces is of paramount importance to exploit these systems in …
Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory
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 …
dielectrics, silicon, diamond, and α-quartz are theoretically investigated by first-principles …
Role of intraband transitions in photocarrier generation
We theoretically investigate the role of intraband transitions in laser-induced carrier
generation for different photon energy regimes:(i) strongly off resonant,(ii) multiphoton …
generation for different photon energy regimes:(i) strongly off resonant,(ii) multiphoton …