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A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…

A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…

Chemical Physics · Physics 2021-09-30 Joshua A. Rackers , Roseane R. Silva , Zhi Wang , Jay W. Ponder

We study strong-field molecular ionization as a function of pulse duration. Experimental measurements of the photoelectron yield for a number of molecules reveal competition between different ionization continua (cationic states) which…

Strong quasi-adiabatic laser alignment of the indole-water-dimer clusters, an amino-acid chromophore bound to a single water molecule through a hydrogen bond, was experimentally realized. The alignment was visualized through ion and…

Chemical Physics · Physics 2018-07-31 Sebastian Trippel , Joss Wiese , Terry Mullins , Jochen Küpper

We present the first theoretical treatment of the formation of highly excited neutral H atoms (H$^{*}$) for strongly driven H$_{2}$. This process, with one electron ionizing and one captured in a Rydberg state, was recently reported in an…

Atomic Physics · Physics 2015-05-28 A. Emmanouilidou , D. Tchitchekova , C. Lazarou , U. Eichmann

A new simulation box setup is introduced for the precise description of the wavepacket evolution of two electronic systems in intense laser pulses. In this box, the regions of the hydrogen molecule H$_{2} $, and singly and doubly ionized…

Atomic Physics · Physics 2016-03-03 Mohsen Vafaee , Firoozeh Sami , Babak Shokri , Behnaz Buzari , Hassan Sabzyan

We propose a laser-based method for the preparation of high-energy polarized electrons, from the ionization of isolated spin-polarized hydrogen (SPH) atoms. The SPH atoms are prepared from the photodissociation of HCl, using two consecutive…

Liquid water at ambient temperature displays ultrafast molecular motions and concomitant fluctuations of very strong electric fields originating from the dipolar H2O molecules. We show that such random intermolecular fields induce tunnel…

Ionization of an atom or molecule presents surprising richness beyond our current understanding: strong-field ionization with low-frequency fields recently revealed unexpected kinetic energy structures (1, 2). A solid grasp on electron…

High-order harmonic generation (HHG) from molecular ion HeH$^{2+}$ in two initial states of $1s\sigma$ (ground state) and $2p\sigma$ (first excited state) is investigated theoretically, in homogeneous and plasmonic-enhanced laser fields.…

Atomic Physics · Physics 2018-07-04 Nehzat Safaei

We present a 2D lattice model of water to study the effects of ion hydration on the properties of water. We map the water molecules as lattice particles consisting of a single Oxygen at the center of a site and two Hydrogen atoms on each…

Soft Condensed Matter · Physics 2015-11-12 S. Dutta , Yongjin Lee , Y. S. Jho

The method of smoothed particle hydrodynamics (SPH) is developped appropriately for the study of relativistic heavy ion collision processes. In order to describe the flow of a high energy but low baryon number density fluid, the entropy is…

High Energy Physics - Phenomenology · Physics 2008-11-26 C. E. Aguiar , T. Kodama , T. Osada , Y. Hama

We introduce a novel in-situ strong field ionization tomography approach for characterizing the spatial density distribution of gas jets. We show that for typical intensities in high harmonic generation experiments, the strong field…

This paper presents a comprehensive exposition of a spontaneous laser model for a resonant semi-classical system of radiation and ion cluster-solvated rotating water molecules, which have subtly variable moments of inertia. In this system,…

Quantum Physics · Physics 2021-01-28 Eiji Konishi

We propose a new scenario to apply IR-pump-XUV-probe schemes to resolving strong field ionization induced and attosecond pulse driven electron-hole dynamics and coherence in real time. The coherent driving of both the infrared laser and the…

Atomic Physics · Physics 2016-02-26 Jing Zhao , Jianmin Yuan , Zengxiu Zhao

We demonstrate that strong-field ionization of atoms driven by circularly polarized light becomes an adiabatic process when described in the frame rotating with the laser field. As a direct consequence, a conservation law emerges: in the…

A unitary model describing the electronic transitions in an atom subject to a strong high frequency laser pulse is proposed. The model fully accounts for the initial state coupling with the continuum spectrum. Continuum-continuum as well as…

Atomic Physics · Physics 2016-05-10 M. G. Bustamante , V. D. Rodríguez

High-harmonic spectroscopy driven by circularly-polarized laser pulses and their counter-rotating second harmonic is a new branch of attosecond science which currently lacks quantitative interpretations. We extend this technique to the…

Atomic Physics · Physics 2019-09-04 Denitsa Baykusheva , Simon Brennecke , Manfred Lein , Hans Jakob Wörner

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

Study on ionization process of molecules in an intense infrared laser field is of paramount interest in strong-field physics and constitutes the foundation of imaging of molecular valence orbitals and attosecond science. We show measurement…