Related papers: Application of the time-dependent surface flux met…
A real-space representation of the current response of many-electron systems with possible applications to x-ray nonlinear spectroscopy and magnetic susceptibilities is developed. Closed expressions for the linear, quadratic and third-order…
Simulating electron-ion dynamics using time-dependent density functional theory within an Ehrenfest dynamics scheme can be done in two ways that are in principle exact and identical: propagating time-dependent electronic Kohn-Sham equations…
Metasurfaces are becoming important tools for the control of thermal radiation. Understanding their functional possibilities on computational grounds requires evaluating the response of the biperiodic layered system for many degrees of…
In this manuscript we provide an outline of the numerical methods used in implementing the density constrained time-dependent Hartree-Fock (DC-TDHF) method and provide a few examples of its application to nuclear fusion. In this approach,…
We derive the transient-time correlation function (TTCF) expression for the computation of phase variables of inhomogenous confined atomistic fluids undergoing boundary-driven planar shear (Couette) flow at constant pressure. Using…
The framework of 'time-dependent basis light-front quantisation' (tBLFQ) offers a non-perturbative approach to scattering problems in external fields, based on Fock space truncation. Here we extend tBLFQ to include spatio-temporal field…
In this work we present a derivation of the real-time time-dependent orbital-optimized M{\o}ller-Plesser TDOMP2 and its biorthogonal companion, time-dependent non-orthogonal OMP2 (TDNOMP2), theory starting from the time-dependent…
We present a new magnetic-atmosphere model code for obtaining synthetic spectral fluxes of hydrogen-rich magnetic white dwarfs. To date, observed spectra have been analyzed with models that neglect the magnetic field's effects on the atomic…
Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions…
We consider a charged particle which is driven by a time-dependent flux threading a circular ring system. Various approaches including classical treatment, Fourier expansion method, time-evolution method, and Lewis-Riesenfeld method are…
Diffusion models have gained attention for their success in modeling complex distributions, achieving impressive perceptual quality in SR tasks. However, existing diffusion-based SR methods often suffer from high computational costs,…
A 790-nm-driven high-harmonic generation source with a repetition rate of 6 kHz is combined with a toroidal-grating monochromator and a high-detection-efficiency photoelectron time-of-flight momentum microscope to enable time- and…
Time- and angle-resolved photoemission spectroscopy is a powerful technique for investigating the dynamics of excited carriers in quantum materials. Typically, data analysis proceeds via the inspection of time distribution curves (TDCs),…
The frequency-dependent optical spectrum is pivotal for a broad range of applications, from material characterization to optoelectronics and energy harvesting. Data-driven surrogate models, trained on density functional theory (DFT) data,…
The Time-of-Flight (ToF) technique coupled with semiconductor-like detectors, as silicon carbide and diamond, is one of the most promising diagnostic methods for high-energy, high repetition rate, laser-accelerated ions allowing a full…
We present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external…
Time-dependent density functional theory (TDDFT) simulations of transient core-level spectroscopies require a balanced treatment of both valence- and core-electron excitations. To this end, tuned range-separated hybrid exchange-correlation…
A new instrument for high resolution imaging of fast-neutrons is presented here. It is designed for energy selective radiography in nanosecond-pulsed broad-energy (1 - 10 MeV) neutron beams. The device presented here is based on hydrogenous…
New time-series analysis tools are needed in disciplines as diverse as astronomy, economics and meteorology. In particular, the increasing rate of data collection at multiple wavelengths requires new approaches able to handle these data.…
We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully…