A general model and toolkit for the ionization of three or more electrons in strongly driven molecules using an effective Coulomb potential for the interaction between bound electrons

Georgios Petros Katsoulis; Matthew Benjamin Peters; Agapi Emmanouilidou

Home/Archive/arXiv

arXiv · 2311.17533

A general model and toolkit for the ionization of three or more electrons in strongly driven molecules using an effective Coulomb potential for the interaction between bound electrons

Georgios Petros Katsoulis·Matthew Benjamin Peters·Agapi Emmanouilidou

View original source ↗Read source document ↗Export metadata ↓

Abstract

We formulate a general three-dimensional semiclassical model for the study of correlated multielectron escape during fragmentation of molecules driven by intense infrared laser pulses, while fully accounting for the magnetic field of the laser pulse. We do so in the context of triple ionization of strongly driven HeH$_{2}^{+}$. Our model fully accounts for the singularity in the Coulomb potentials of a recolliding electron with the core and a bound electron with the core as well as for the interaction of a recolliding with a bound electron. To avoid artificial autoionization, our model employs effective potentials to treat the interaction between bound electrons. We focus on triple and double ionization as well as frustrated triple and frustrated double ionization. In these processes, we identify and explain the main features of the sum of the kinetic energies of the final ion fragments. We find that frustrated double ionization is a major ionization process, and we identify the different channels and hence different final fragments that are obtained through frustrated double ionization. Also, we discuss the differences between frustrated double and triple ionization.

Explore related subjects

physics.atom-ph

Keep this discovery

BibTeX RIS

Georgios Petros Katsoulis, Matthew Benjamin Peters, Agapi Emmanouilidou. 2023-11-29. A general model and toolkit for the ionization of three or more electrons in strongly driven molecules using an effective Coulomb potential for the interaction between bound electrons. https://arxiv.org/abs/2311.17533

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Delay-engineered dynamical phases in a programmable non-Markovian spin oscillator

Non-Markovian dynamics offer a new route towards engineering non-equilibrium matter, where memory and feedback act as programmable resources for controlling order in time. Here we report the realization of a non-Markovian spin oscillator in a hot vapour $^{129}$Xe-Cs co-magnetometer with programmable feedback delay and gain. By tuning these parameters, we observe a hierarchy of dynamical phases, including time-crystalline response, nonlinear bifurcations, and frequency-comb formation. The measured spectra and phase boundaries are captured by linear stability analysis of delayed Bloch equations, revealing these phenomena as different manifestations of the same memory-induced instability structure. These results establish time-delayed feedback as a powerful strategy for controlling non-equilibrium phases, enabling quantum sensing, frequency referencing, and synchronization within a single spin-based platform.

physics.atom-ph↗

arXiv2026

Non-stick vacuum wall collisions with a laser-coolable molecule

Molecular species that are suitable for direct laser cooling are typically considered lost or destroyed if they collide with an ambient temperature vacuum wall. Here, we study surface collisions with aluminum monofluoride (AlF), a laser-coolable molecule that survives this process with unusually high probability. We detect the outgoing AlF molecules from a single wall collision via Doppler-sensitive laser-induced fluorescence spectroscopy, using incoming supersonic (pulsed) and thermochemical (continuous) molecular beams. The angular, velocity and rovibrational level distributions of the outgoing molecules show near-complete thermalisation to the wall in a single collision event. We determine an upper limit to the surface residence time of about 5$~\mu$s, and by monitoring the decay in density of pulses of molecules loaded into a small storage volume, we deduce the surface sticking probability for different materials. For a siloxane-coated metallic surface, the sticking probability of AlF is about 0.015, allowing us to accumulate molecules from the thermochemical source into an ambient temperature storage vessel at densities near $10^{8}~$cm$^{-3}$. This provides a route to compact, portable traps for neutral molecules.

physics.atom-ph↗

arXiv2026

Kinetic modeling of molecular beam formation in a cryogenic buffer-gas cell

Cryogenic buffer-gas cells are widely used to produce cold molecular beams, but the microscopic dynamics governing beam formation remain challenging to model. Here we present fully kinetic simulations of a cryogenic buffer-gas cell using the Direct Simulation Monte Carlo method implemented in the PICLas framework, treating the buffer gas and ablated molecules within a single unified model. We capture characteristic features of cryogenic buffer-gas sources, including plume cooling, directed transport toward the aperture, and the formation of a slow molecular beam, while also resolving energy transfer from the hot ablation plume to the helium buffer gas that is inaccessible to existing approaches relying on the background-gas approximation. Our results demonstrate that fully kinetic simulations can provide detailed insights into buffer-gas cell dynamics and open a route toward a systematic optimization of such sources.

physics.atom-ph↗