[HTML][HTML] Theoretical insights into ultrafast dynamics in quantum materials
The last few decades have witnessed the extraordinary advances in theoretical and
experimental tools, which have enabled the manipulation and monitoring of ultrafast …
experimental tools, which have enabled the manipulation and monitoring of ultrafast …
Many-body perturbation theory calculations using the yambo code
D Sangalli, A Ferretti, H Miranda… - Journal of Physics …, 2019 - iopscience.iop.org
Abstract yambo is an open source project aimed at studying excited state properties of
condensed matter systems from first principles using many-body methods. As input, yambo …
condensed matter systems from first principles using many-body methods. As input, yambo …
Real-time time-dependent density functional theory for simulating nonequilibrium electron dynamics
The explicit real-time propagation approach for time-dependent density functional theory
(RT-TDDFT) has increasingly become a popular first-principles computational method for …
(RT-TDDFT) has increasingly become a popular first-principles computational method for …
Imaging the short-lived hydroxyl-hydronium pair in ionized liquid water
The radiolysis of water is ubiquitous in nature and plays a critical role in numerous
biochemical and technological applications. Although the elementary reaction pathways for …
biochemical and technological applications. Although the elementary reaction pathways for …
Polaritonic chemistry from first principles via embedding radiation reaction
C Schafer - The Journal of Physical Chemistry Letters, 2022 - ACS Publications
The coherent interaction of a large collection of molecules with a common photonic mode
results in strong light-matter coupling, a feature that has proven highly beneficial for …
results in strong light-matter coupling, a feature that has proven highly beneficial for …
Toward molecular chiral polaritons
Coupling between light and material excitations underlies a wide range of optical
phenomena. Polaritons are eigenstates of a coupled system with a hybridized wave …
phenomena. Polaritons are eigenstates of a coupled system with a hybridized wave …
Determining the optimum thickness for high harmonic generation from nanoscale thin films: An ab initio computational study
S Yamada, K Yabana - Physical Review B, 2021 - APS
We theoretically investigate high harmonic generation (HHG) from silicon thin films with
thicknesses from a few atomic layers to a few hundreds of nanometers, to determine the …
thicknesses from a few atomic layers to a few hundreds of nanometers, to determine the …
Giant acceleration of polaron transport by ultrafast laser-induced coherent phonons
Polaron formation is ubiquitous in polarized materials, but severely hampers carrier
transport for which effective controlling methods are urgently needed. Here, we show that …
transport for which effective controlling methods are urgently needed. Here, we show that …
First-principles approach for coupled quantum dynamics of electrons and protons in heterogeneous systems
The coupled quantum dynamics of electrons and protons is ubiquitous in many dynamical
processes involving light-matter interaction, such as solar energy conversion in chemical …
processes involving light-matter interaction, such as solar energy conversion in chemical …
[HTML][HTML] Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation
We give a perspective on simulating electronic excitation and dynamics using the real-time
propagation approach to time-dependent density functional theory (RT-TDDFT) in the plane …
propagation approach to time-dependent density functional theory (RT-TDDFT) in the plane …