| DOI | Resolve DOI: https://doi.org/10.1103/PhysRevA.85.033426 |
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| Author | Search for: Spanner, M.1; Search for: Mikosch, J.1; Search for: Boguslavskiy, A. E.1; Search for: Murnane, M. M.; Search for: Stolow, A.1; Search for: Patchkovskii, S.1 |
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| Affiliation | - National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Subject | bound 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 |
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| Abstract | We 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. |
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| Publication date | 2012 |
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| Publisher | American Physical Society |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 21269190 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 3d216298-0e8a-49a8-8090-2d29cbaff483 |
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| Record created | 2013-12-12 |
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| Record modified | 2020-04-21 |
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