Related papers: Transient spectroscopy from time-dependent electro…
By analyzing ``exact'' theoretical results from solving the time-dependent Schr\"odinger equation of atoms in few-cycle laser pulses, we established the general conclusion that differential elastic scattering and photo-recombination cross…
The ultrafast time-dependence of the energy absorption of covalent solids upon excitation with femtosecond laser pulses is theoretically analyzed. We use a microscopic theory to describe laser induced structural changes and their influence…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
We develop a time-dependent, grid-based framework for simulating infrared spectra that is specifically designed for quantum computers. The proposed circuit employs a probabilistic strategy for applying the non-unitary dipole operator and an…
The power spectrum of an optical field can be acquired without a spectrally resolving detector by means of Fourier-transform spectrometry, based on measuring the temporal autocorrelation of the optical field. Analogously, we here perform…
Absorption spectra of closed-shell Na_2, Na_3+, Na_4, Na_5+, Na_6, Na_7+, and Na_8 clusters are calculated using a recently implemented conserving linear response method. In the framework of a quasiparticle approach, we determine…
We develop a microscopic calculation scheme for the excitation spectrum of a single-electron atom localized near a dielectric nanostructure. The atom originally has an arbitrary degenerate structure of its Zeeman sublevels on its closed…
A probabilistic framework for studying single-particle diffusion in partially absorbing media has recently been developed in terms of an encounter-based approach. The latter computes the joint probability density (generalized propagator)…
The dynamics of excitonic energy transfer in molecular complexes triggered by interaction with laser pulses offers a unique window into the underlying physical processes. The absorbed energy moves through the network of interlinked pigments…
We develop a biorthogonal linear-scaling algorithm for a transcorrelated method based on the localized nature of transformed orbitals. The transcorrelated method, which employs a similarity-transformed Hamiltonian referred to as a…
Phase space tomography estimates correlation functions entirely from snapshots in the evolution of the wave function along a time or space variable. In contrast, traditional interferometric methods require measurement of multiple two-point…
Semi-analytical model for calculating acoustic response to a line-focused laser pulse in an optically absorptive isotropic cylinder is proposed and implemented. It is assumed that the laser input is absorbed over the volume and thus creates…
We present a simplified web-based application for simulating x-ray and photoelectron spectra of transition metals, built around the notion that web-based applications lower the bar for novice users. The application provides a simple…
When atoms and molecules are ionized by laser pulses of finite duration and increasingly high intensities, the validity of the much used dipole approximation, in which the spatial dependence and magnetic component of the external field are…
The bispectrum is the leading non-Gaussian statistic in large-scale structure, carrying valuable information on cosmology that is complementary to the power spectrum. To access this information, we need to model the bispectrum in the weakly…
In this work we introduce the notion of an angular spectrum for a linear discrete time nonautonomous dynamical system. The angular spectrum comprises all accumulation points of longtime averages formed by maximal principal angles between…
A general expansion scheme based on the concept of linked cluster expansion from the theory of classical spin systems is constructed for models of interacting electrons. It is shown that with a suitable variational formulation of mean-field…
We explore the spectral properties of the time-dependent Maxwell's equations for a plane interface between a metamaterial represented by the Drude model and the vacuum, which fill respectively complementary half-spaces. We construct…
Wave absorption in time-invariant, passive thin films is fundamentally limited by a trade-off between bandwidth and overall thickness. In this work, we investigate the use of temporal switching to reduce signal reflections from a thin…
We benchmark ionisation and excitation energies of transition-metal atoms Sc-Zn with a transcorrelated Hamiltonian combined with pseudopotentials. The similarity transformed Hamiltonian provides compact TC wave functions in affordable…