Theoretical method to evaluate photoionization spectra of small molecules in their excited states. Application to CH and N<sub>2</sub> molecules

POSTER

Abstract

Photoionization (PI) spectrum of the CH molecule is evaluated theoretically and compared with available experimental data for photon energies above the photoionization threshold at 12~eV. Vibrational motion and the vibronic coupling between the lowest vibrational and electronic states of CH and CH+ are accounted for in the present study. The multi-channel quantum defect theory with the vibrational frame transformation was employed in modeling the PI cross section of CH. The PI cross section is calculated for several initial vibrational levels of CH. A good agreement with the experiment by Gans et al. J. Chem. Phys. 144, 10.1063/1.4950880 (2016) for positions of observed resonances and the intensities of the resonances is found. Preliminary results for the N2 molecule will also be presented.

*This work acknowledges support from the National Science Foundation, Grant Nos.2110279 and PHY-2102188. It has also received funding from the program ``Accueil des chercheurs étrangers'' of CentraleSupélec.

Presenters

  • Viatcheslav Kokoouline

    • University of Central Florida

Authors

  • Viatcheslav Kokoouline

    • University of Central Florida

  • Conner Penson

    • University of Central Florida

  • Joshua Benjamin Forer

    • Columbia University
    • Columbia University, New York, USA

  • Nicolas Douguet

    • University of Central Florida

  • Samantha Fonseca dos Santos

    • Rollins College

  • Mikhail Guchkov

    • Rollins College

  • Jean-Christophe Loison

    • Université de Bordeaux

  • MEHDI A Ayouz

    • Ecole Centrale Paris
    • LGPM, CNRS, Univ. Paris Saclay, CentraleSupelec, 91190 Gif-sur-Yvette, France

  • Berenger Gans

    • Université Paris Saclay