Single‐ and Three‐Photon Ionization of N2$$ {N}_2 $$ in Presence of Fano Resonances

We report single- and three-photon ionization cross-sections of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow> <mml:msub><mml:mrow><mml:mi>N</mml:mi></mml:mrow> <mml:mrow><mml:mn>2</mml:mn></mml:mrow> </mml:msub> </mml:mrow> <mml:annotation>$$ {N}_2 $$</mml:annotation></mml:semantics> </mml:math> molecule in the region of the Hopfield series of doubly excited states. Results are obtained by solving the time-dependent Schrödinger equation in a hybrid basis combining neutral and ionic CI states with a fully numerical basis. Contributions to the spectrum during and after the interaction are obtained using the tSurff and iSurf methods. Calculations at arbitrary molecular orientation and details of the spectral calculation are presented. For single-photon ionization synchrotron data is reproduced. For three-photon ionization we find a pronounced change of resonance line shape when going from single- to three-photon transitions.

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Publication Details

Journal
Journal of Computational Chemistry
Published
2025-03-11
DOI
https://doi.org/10.1002/jcc.70067
Primary Topic
Laser-Matter Interactions and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Single‐ and Three‐Photon Ionization of N2$$ {N}_2 $$ in Presence of Fano Resonances

Armin Scrinzi, Vinay Pramod Majety
Journal of Computational Chemistry
Laser-Matter Interactions and Applications
article

Single‐ and Three‐Photon Ionization of N2$$ {N}_2 $$ in Presence of Fano Resonances

Armin Scrinzi, Vinay Pramod Majety
article en

Abstract

We report single- and three-photon ionization cross-sections of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow> <mml:msub><mml:mrow><mml:mi>N</mml:mi></mml:mrow> <mml:mrow><mml:mn>2</mml:mn></mml:mrow> </mml:msub> </mml:mrow> <mml:annotation>$$ {N}_2 $$</mml:annotation></mml:semantics> </mml:math> molecule in the region of the Hopfield series of doubly excited states. Results are obtained by solving the time-dependent Schrödinger equation in a hybrid basis combining neutral and ionic CI states with a fully numerical basis. Contributions to the spectrum during and after the interaction are obtained using the tSurff and iSurf methods. Calculations at arbitrary molecular orientation and details of the spectral calculation are presented. For single-photon ionization synchrotron data is reproduced. For three-photon ionization we find a pronounced change of resonance line shape when going from single- to three-photon transitions.

Journal of Computational ChemistryVol. 46(7)
Indian Institute of Technology Tirupati (IN), Ludwig-Maximilians-Universität München (DE)
Science and Engineering Research Board
Openalex Percentile: Top 97%
Laser-Matter Interactions and Applications
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