Related papers: Self-probing of Molecules with High Harmonic Gener…
High-harmonic generation (HHG) is a nonlinear process in which a material sample is irradiated by intense laser pulses, causing the emission of high harmonics of the incident light. HHG has historically been explained by theories employing…
We propose a new multi-scale molecular dynamics simulation method which can achieve high accuracy and high sampling efficiency simultaneously without aforehand knowledge of the coarse grained (CG) potential and test it for a biomolecular…
Spectroscopy is a crucial laboratory technique for understanding quantum systems through their interactions with electromagnetic radiation. Particularly, spectroscopy is capable of revealing the physical structure of molecules, leading to…
Using one-dimensional simulations analyzed through the lens of open quantum systems, we study the photoelectron's strong-field dynamics from an atom surrounded by a scattering environment stochastically structured. We theoretically…
We show that high-order harmonics generated from molecules by intense laser pulses can be expressed as the product of a returning electron wave packet and the photo-recombination cross section (PRCS) where the electron wave packet can be…
We calculate high-harmonic generation (HHG) by intense infrared lasers in atoms and molecules with the inclusion of macroscopic propagation of the harmonics in the gas medium. We show that the observed experimental spectra can be accurately…
In a single-particle detection experiment, a wavefront impinges on a detector but observers only see a point response. The extent of the wavefront becomes evident only in statistical accumulation of many independent detections, with…
The hydroxyl radical, hereafter referred to as the OH molecule (OHM), carries both electric and magnetic dipole moments and, as a diatomic molecule, admits a comparatively simple and accurate model. This makes it a natural quantum probe for…
The observation of non-perturbative harmonic emission in solids from ultrashort laser pulses [1] sparked a wave of studies [2,3] as a probe of charge carrier dynamics in solids under strong fields and a route to extreme ultraviolet (XUV)…
High-harmonic generation is one of the most extreme nonlinear-optical processes observed to date. By focusing an intense laser pulse into a gas, the light-atom interaction that occurs during the process of ionising the atoms results in the…
Laser control of molecular rotation is an area of active research. A number of recent studies has aimed at expanding the reach of rotational control to extreme, previously inaccessible rotational states, as well as controlling the…
High order harmonic (HOH) generation by interacting extremely intense electromagnetic waves in the quantum vacuum is investigated within the framework of the Heisenberg-Euler formalism. We consider here the process in the lowest order of a…
Radioactive molecules provide a powerful new platform in the search for new physics at energy scales complementary to high-energy particle colliders. By combining enhancements from nuclear properties with the sensitivity and control offered…
Semi-empirical molecular dynamics is used to simulate several gaseous atomic hydrogen interactions with hydrocarbon grains in space: recoil, adsorption, diffusion, chemisorption and recombination into molecular hydrogen. Their probabilities…
We investigate the polarization properties of high harmonic generation from polar molecules with a linearly polarized field. It is found that elliptically polarized harmonics are observed in a wide spectral range from the plateau to the…
Expression for the probability of induced emission of high-order harmonics is obtained in the region where the multiphoton approximation is applicable to the description of the ionization of an atom. The dependence of this probability on…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…
The field of molecular electronics has emerged from efforts to understand electron propagation through single molecules and to use them in electronic circuits. Serving as a testbed for advanced theoretical methods, it reveals a significant…
Revealing possible long-living coherence in ultrafast processes allows detecting genuine quantum mechanical effects in molecules. To investigate such effects from a quantum chemistry perspective, we have developed a method for simulating…