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Nonequilibrium electron dynamics in solids is an important subject from both fundamental and technological points of view. The recent development of laser technology has enabled us to study ultrafast electron dynamics in the time domain.…

Materials Science · Physics 2020-11-04 Shunsuke A. Sato

The ultrafast electronic and nuclear dynamics of H2 laser-induced double ionization is studied using a time-dependent wave packet approach that goes beyond the fixed nuclei approximation. The double ionization pathways are analyzed by…

Quantum Physics · Physics 2011-11-09 Sebastien Saugout , Christian Cornaggia , Annick Suzor-Weiner , Eric Charron

We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the resulting Hamiltonians can be used for electron density…

Computational Physics · Physics 2020-09-01 Harish S. Bhat , Karnamohit Ranka , Christine M. Isborn

The ionization of atomic hydrogen in intense laser fields is studied theoretically. The calculations were performed applying both quantummechanical and classical approaches. Treating the problem quantummechanically, the time dependent…

Atomic Physics · Physics 2009-11-13 S. Borbély , K. Tőkési , L. Nagy

Charge migration is the electronic response that immediately follows localized ionization or excitation in a molecule, before the nuclei have time to move. It typically unfolds on sub-femtosecond time scales and most often corresponds to…

Atomic and Molecular Clusters · Physics 2022-03-07 Francois Mauger , Aderonke Folorunso , Kyle Hamer , Cristel Chandre , Mette Gaarde , Kenneth Lopata , Kenneth Schafer

We investigate theoretically charge migration following prompt double ionization of a polyatomic molecule (C$_2$H$_4$BrI) and find that for double ionization, correlation-driven charge migration appears to be particularly prominent, i.e.,…

Chemical Physics · Physics 2016-05-24 Maximilian Hollstein , Robin Santra , Daniela Pfannkuche

Two emerging areas of research, attosecond and nanoscale physics, have recently started to merge. Attosecond physics deals with phenomena occurring when ultrashort laser pulses, with duration on the femto- and sub-femtosecond time scales,…

Atomic Physics · Physics 2019-12-03 Marcelo F. Ciappina , Maciej Lewenstein

The complex Kohn variational method is extended to compute light-driven electronic transitions between continuum wavefunctions in atomic and molecular systems. This development enables the study of multiphoton processes in the perturbative…

Atomic Physics · Physics 2018-08-15 Nicolas Douguet , Barry I. Schneider , Luca Argenti

Double ionization processes triggered by intense linearly polarized laser fields have revealed the paramount role of electron-electron collisions. It has been shown that the correlated dynamics of such electronic collisions can be modeled…

Atomic Physics · Physics 2011-05-03 Francois Mauger , Cristel Chandre , Turgay Uzer

The behavior of liquid water under an electric field is a crucial phenomenon in science and engineering. However, its detailed description at a microscopic level is difficult to achieve experimentally. Here we report on the first ab initio…

Soft Condensed Matter · Physics 2012-05-16 A. Marco Saitta , Franz Saija , Paolo V. Giaquinta

We explore the laser-induced ionization dynamics of N2 and CO2 molecules subjected to a few-cycle, linearly polarized, 800\,nm laser pulse using effective two-dimensional single active electron time-dependent quantum simulations. We show…

Atomic Physics · Physics 2012-10-02 Michel Peters , Tung Nguyen-Dang , Eric Charron , Arne Keller , Osman Atabek

We present an efficient method for modeling the single and double ionization dynamics of the H$_2$ molecule in ultrashort intense laser fields. This method is based on a semi-analytical approach to calculate the time-dependent single and…

Quantum Physics · Physics 2025-11-04 Jean-Nicolas Vigneau , Thanh-Tung Nguyen Dang , Eric Charron

Multi-electron dynamics in atoms and molecules very often occur on sub- to few-femtosecond timescales. The available intensities of extreme-ultraviolet (XUV) attosecond pulses have previously only allowed the time-resolved investigation of…

Time-resolved investigations of ultrafast electronic and molecular dynamics were not possible until recently. The typical time scale of these processes is in the picosecond to attosecond realm. The tremendous technological progress in…

Atomic Physics · Physics 2013-05-14 Stefan Pabst

By using Bohmian trajectory method, we investigate the dynamic interference in diatomic molecular high-order harmonic generation progress. It is demonstrated that the main characteristics of the molecular harmonic spectrum can be well…

Atomic Physics · Physics 2013-08-05 Yang Song , Bing-Bing Wang , Fu-Ming Guo , Su-Yu Li , Xue-Shen Liu , Ji-Gen Chen , Si-Liang Zeng , Yu-Jun Yang

Outer sphere electron transfer rates can be calculated from simulation data by sampling the equilibrium statistics of the canonical reaction coordinate -- the vertical energy gap. For these calculations, electron transfer is typically…

Chemical Physics · Physics 2025-09-23 Yoonjae Park , Adam P. Willard

Ionization by relativistically intense short laser pulses is studied in the framework of strong-field quantum electrodynamics. Distinctive patterns are found in the energy probability distributions of photoelectrons. Except of the already…

Atomic Physics · Physics 2018-03-14 F. Cajiao Vélez , J. Z. Kamiński , K. Krajewska

A 2D slab approximation of the interactions of electrons with intense linearly polarized laser radiation and static electric and magnetic fields is widely used for both numerical simulations and simplified semi-analytical models. It is…

Plasma Physics · Physics 2018-02-02 Yanzeng Zhang , S. I. Krasheninnikov

Photoelectron momentum distributions (PMDs) from atoms and molecules undergo qualitative changes as laser parameters are varied. We present a model to interpret the shape of the PMDs. The electron's motion is guided by a fictitious particle…

Chaotic Dynamics · Physics 2018-09-19 Jonathan Dubois , Simon Berman , Cristel Chandre , Turgay Uzer

We present an ab initio study of the nonsequential strong-field ionization dynamics of a model two-electron atom with helium character. Single- and double-ionization events are characterized and displayed using detector signals extracted at…

Atomic Physics · Physics 2023-06-14 Daniel Younis , Joseph H. Eberly