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Title: Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields

Abstract

We present an alternate version of the coupled-coherent-state method, specifically adapted for solving the time-dependent Schroedinger equation for multielectron dynamics in atoms and molecules. This theory takes explicit account of the exchange symmetry of fermion particles, and it uses fermion molecular dynamics to propagate trajectories. As a demonstration, calculations in the He atom are performed using the full Hamiltonian and accurate experimental parameters. Single- and double-ionization yields by 160-fs and 780-nm laser pulses are calculated as a function of field intensity in the range 10{sup 14}-10{sup 16} W/cm{sup 2}, and good agreement with experiments by Walker et al. is obtained. Since this method is trajectory based, mechanistic analysis of the dynamics is straightforward. We also calculate semiclassical momentum distributions for double ionization following 25-fs and 795-nm pulses at 1.5x10{sup 15} W/cm{sup 2}, in order to compare them with the detailed experiments by Rudenko et al. For this more challenging task, full convergence is not achieved. However, major effects such as the fingerlike structures in the momentum distribution are reproduced.

Authors:
 [1];  [2]
  1. Laboratoire Aime Cotton du CNRS, Universite de Paris-Sud, Batiment 505, F-91405 Orsay (France)
  2. School of Chemistry, University of Leeds, Leeds LS2 9JT (United Kingdom)
Publication Date:
OSTI Identifier:
22068725
Resource Type:
Journal Article
Journal Name:
Physical Review. A
Additional Journal Information:
Journal Volume: 84; Journal Issue: 3; Other Information: (c) 2011 American Institute of Physics; Country of input: Syrian Arab Republic; Journal ID: ISSN 1050-2947
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 74 ATOMIC AND MOLECULAR PHYSICS; ANNIHILATION OPERATORS; ATOMS; CONVERGENCE; DISTRIBUTION; EIGENSTATES; ELECTRONS; HAMILTONIANS; HELIUM; IONIZATION; LASER RADIATION; LASERS; MOLECULAR DYNAMICS METHOD; MOLECULES; PULSES; SCHROEDINGER EQUATION; SEMICLASSICAL APPROXIMATION; SYMMETRY; TIME DEPENDENCE; TRAJECTORIES

Citation Formats

Kirrander, Adam, and Shalashilin, Dmitrii V. Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields. United States: N. p., 2011. Web. doi:10.1103/PHYSREVA.84.033406.
Kirrander, Adam, & Shalashilin, Dmitrii V. Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields. United States. doi:10.1103/PHYSREVA.84.033406.
Kirrander, Adam, and Shalashilin, Dmitrii V. Thu . "Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields". United States. doi:10.1103/PHYSREVA.84.033406.
@article{osti_22068725,
title = {Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields},
author = {Kirrander, Adam and Shalashilin, Dmitrii V.},
abstractNote = {We present an alternate version of the coupled-coherent-state method, specifically adapted for solving the time-dependent Schroedinger equation for multielectron dynamics in atoms and molecules. This theory takes explicit account of the exchange symmetry of fermion particles, and it uses fermion molecular dynamics to propagate trajectories. As a demonstration, calculations in the He atom are performed using the full Hamiltonian and accurate experimental parameters. Single- and double-ionization yields by 160-fs and 780-nm laser pulses are calculated as a function of field intensity in the range 10{sup 14}-10{sup 16} W/cm{sup 2}, and good agreement with experiments by Walker et al. is obtained. Since this method is trajectory based, mechanistic analysis of the dynamics is straightforward. We also calculate semiclassical momentum distributions for double ionization following 25-fs and 795-nm pulses at 1.5x10{sup 15} W/cm{sup 2}, in order to compare them with the detailed experiments by Rudenko et al. For this more challenging task, full convergence is not achieved. However, major effects such as the fingerlike structures in the momentum distribution are reproduced.},
doi = {10.1103/PHYSREVA.84.033406},
journal = {Physical Review. A},
issn = {1050-2947},
number = 3,
volume = 84,
place = {United States},
year = {2011},
month = {9}
}