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Title: Theoretical studies of high-order harmonic generation: Effects of symmetry, degeneracy, and orientation

Abstract

Using a quantum-mechanical three-step model, we present numerical calculations of the high-order harmonic generation from four polyatomic molecules. Ethylene (C{sub 2}H{sub 4}) serves as an example where orbital symmetry directly affects the harmonic yield. We treat the case of methane (CH{sub 4}) to address the high-order harmonic generation resulting from a molecule with degenerate orbitals. To this end we illustrate how the single-orbital contributions show up in the total high-order harmonic signal. This example illustrates the importance of adding coherently the amplitude contributions from the individual degenerate orbitals. Finally, we study the high-order harmonic generation from propane (C{sub 3}H{sub 8}) and butane (C{sub 4}H{sub 10}). These two molecules, being extended and far from spherical in structure, produce harmonics with nontrivial orientational dependencies. In particular, propane can be oriented so that very high-frequency harmonics are favored, and thus the molecule contains prospects for the generation of uv attosecond pulses.

Authors:
;  [1]
  1. Lundbeck Foundation Theoretical Center for Quantum System Research, Department of Physics and Astronomy, University of Aarhus, 8000 Aarhus C (Denmark)
Publication Date:
OSTI Identifier:
21020762
Resource Type:
Journal Article
Journal Name:
Physical Review. A
Additional Journal Information:
Journal Volume: 76; Journal Issue: 4; Other Information: DOI: 10.1103/PhysRevA.76.043419; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1050-2947
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 2-METHYLPROPANE; BUTANE; ETHYLENE; HARMONIC GENERATION; HARMONICS; METHANE; MHZ RANGE; MOLECULAR STRUCTURE; NUMERICAL SOLUTION; ORIENTATION; PROPANE; PULSES; QUANTUM MECHANICS; SPHERICAL CONFIGURATION; SYMMETRY

Citation Formats

Madsen, C B, and Madsen, L B. Theoretical studies of high-order harmonic generation: Effects of symmetry, degeneracy, and orientation. United States: N. p., 2007. Web. doi:10.1103/PHYSREVA.76.043419.
Madsen, C B, & Madsen, L B. Theoretical studies of high-order harmonic generation: Effects of symmetry, degeneracy, and orientation. United States. https://doi.org/10.1103/PHYSREVA.76.043419
Madsen, C B, and Madsen, L B. 2007. "Theoretical studies of high-order harmonic generation: Effects of symmetry, degeneracy, and orientation". United States. https://doi.org/10.1103/PHYSREVA.76.043419.
@article{osti_21020762,
title = {Theoretical studies of high-order harmonic generation: Effects of symmetry, degeneracy, and orientation},
author = {Madsen, C B and Madsen, L B},
abstractNote = {Using a quantum-mechanical three-step model, we present numerical calculations of the high-order harmonic generation from four polyatomic molecules. Ethylene (C{sub 2}H{sub 4}) serves as an example where orbital symmetry directly affects the harmonic yield. We treat the case of methane (CH{sub 4}) to address the high-order harmonic generation resulting from a molecule with degenerate orbitals. To this end we illustrate how the single-orbital contributions show up in the total high-order harmonic signal. This example illustrates the importance of adding coherently the amplitude contributions from the individual degenerate orbitals. Finally, we study the high-order harmonic generation from propane (C{sub 3}H{sub 8}) and butane (C{sub 4}H{sub 10}). These two molecules, being extended and far from spherical in structure, produce harmonics with nontrivial orientational dependencies. In particular, propane can be oriented so that very high-frequency harmonics are favored, and thus the molecule contains prospects for the generation of uv attosecond pulses.},
doi = {10.1103/PHYSREVA.76.043419},
url = {https://www.osti.gov/biblio/21020762}, journal = {Physical Review. A},
issn = {1050-2947},
number = 4,
volume = 76,
place = {United States},
year = {Mon Oct 15 00:00:00 EDT 2007},
month = {Mon Oct 15 00:00:00 EDT 2007}
}