Time-dependent density-functional study of the alignment-dependent ionization of acetylene and ethylene by strong laser pulses

Arthur Russakoff, Sergiy Bubin, Xinhua Xie, Sonia Erattupuzha, Markus Kitzler, Kálmán Varga

    Research output: Contribution to journalArticle

    17 Citations (Scopus)

    Abstract

    The alignment-dependent ionization of acetylene and ethylene in short laser pulses is investigated in the framework of the time-dependent density-functional theory coupled with Ehrenfest dynamics. The molecular alignment is found to have a substantial effect on the total ionization. Bond stretching is shown to cause an increase of the ionization efficiency, i.e., enhanced ionization, in qualitative agreement with previous theoretical investigations. It is also demonstrated that the enhanced ionization mechanism greatly enhances the ionization from the inner valence orbitals, and the ionization of the inner orbitals is primarily due to their extended weakly bound density tails.

    Original languageEnglish
    Article number023422
    JournalPhysical Review A - Atomic, Molecular, and Optical Physics
    Volume91
    Issue number2
    DOIs
    Publication statusPublished - Feb 19 2015

    Fingerprint

    acetylene
    ethylene
    alignment
    ionization
    pulses
    lasers
    orbitals
    density functional theory
    valence
    causes

    ASJC Scopus subject areas

    • Atomic and Molecular Physics, and Optics

    Cite this

    Time-dependent density-functional study of the alignment-dependent ionization of acetylene and ethylene by strong laser pulses. / Russakoff, Arthur; Bubin, Sergiy; Xie, Xinhua; Erattupuzha, Sonia; Kitzler, Markus; Varga, Kálmán.

    In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 91, No. 2, 023422, 19.02.2015.

    Research output: Contribution to journalArticle

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    AU - Kitzler, Markus

    AU - Varga, Kálmán

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    AB - The alignment-dependent ionization of acetylene and ethylene in short laser pulses is investigated in the framework of the time-dependent density-functional theory coupled with Ehrenfest dynamics. The molecular alignment is found to have a substantial effect on the total ionization. Bond stretching is shown to cause an increase of the ionization efficiency, i.e., enhanced ionization, in qualitative agreement with previous theoretical investigations. It is also demonstrated that the enhanced ionization mechanism greatly enhances the ionization from the inner valence orbitals, and the ionization of the inner orbitals is primarily due to their extended weakly bound density tails.

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