Strong-field ionization and high-order-harmonic generation during polyatomic molecular dynamics of N 2O 4

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DOIResolve DOI: http://doi.org/10.1103/PhysRevA.85.033426
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TypeArticle
Journal titlePhysical Review A - Atomic, Molecular, and Optical Physics
ISSN1050-2947
Volume85
Issue3
Article number33426
SubjectBound state; Coincidence measurement; Computational results; Grid-based approach; Interchannel coupling; Ionic state; Multi-electron; Polyatomic molecular dynamics; Polyatomic molecules; Radiating dipole; Single electron; Single state; Single-molecule; Strong field ionization; Time-dependent; Vibrational amplitudes; Harmonic generation; Ionization; Molecular dynamics
AbstractWe present state-of-the-art ab initio-type computations of strong-field ionization (SFI) and the single-molecule response contribution to high-order-harmonic generation (HHG) in the polyatomic molecule N 2O 4. The numerical method uses a mixed orbital- and grid-based approach to model the multielectron bound states and single-electron continuum. The effects of ionic-core attraction and Coulomb-mediated interchannel coupling are rigorously included. We show that full-dimensionality time-dependent multielectron computations of SFI and HHG in polyatomic molecules are now feasible. The computational results indicate that (a) SFI yields in N 2O 4 are dominated by a single ionic state (the A g state), and are strongly modulated by the N-N stretch coordinate; and (b) the HHG radiating dipole as a function of the N 2O 4 N-N stretch is dominated by the same, single state. The molecular-beam coincidence measurements presented here support the computational results. Due to the differences in the estimated vibrational amplitude, however, the computations are not in full agreement with previous HHG data. ©2012 American Physical Society.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); NRC Steacie Institute for Molecular Sciences (SIMS-ISSM)
Peer reviewedYes
NPARC number21269190
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Record identifier3d216298-0e8a-49a8-8090-2d29cbaff483
Record created2013-12-12
Record modified2016-05-09
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