Interaction of molecular nitrogen with Free-Electron-Laser radiation

Abstract

We compute molecular continuum orbitals in the single center expansion scheme. We then employ these orbitals to obtain molecular Auger rates and single-photon ionization cross sections to study the interaction of N2 with Free-Electron-Laser (FEL) pulses. The nuclei are kept fixed. We formulate rate equations for the energetically allowed molecular and atomic transitions and we account for dissociation through additional terms in the rate equations. Solving these equations for different parameters of the FEL pulse, allows us to identify the most efficient parameters of the FEL pulse for obtaining the highest contribution of double core hole states (DCH) in the final atomic ion fragments. Finally we identify the contribution of DCH states in the electron spectra and show that the DCH state contribution is more easily identified in the photo-ionization rather than the Auger transitions.

References in corpus (8)

• Double core hole production in N2: Beating the Auger clock
• Experimental Verification of the Chemical Sensitivity of Two-Site Double Core-Hole States Formed by an X-ray FEL
• Molecular double core-hole electron spectroscopy for chemical analysis
• Monte Carlo calculation of ion, electron, and photon spectra of xenon atoms in x-ray free-electron laser pulses
• Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensity
• Multiphoton Ionization as a clock to Reveal Molecular Dynamics with Intense Short X-ray Free Electron Laser Pulses
• Ultrafast absorption of intense x rays by nitrogen molecules
• Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses

Cited by in corpus (7)

• Multi-reference protocol for (auto)ionization spectra: application to molecules
• Multi-reference quantum chemistry protocol for simulating autoionization spectra: Test of ionization continuum models for the neon atom
• Multiple core hole formation by free-electron laser radiation in molecular nitrogen
• Sequential single-photon and direct two-photon absorption processes for Xe interacting with attosecond XUV pulses
• Carbon monoxide interacting with free-electron-laser pulses
• Streaking single-electron ionization in open-shell molecules driven by X-ray pulses
• Mapping the direction of electron ionization to phase delay between VUV and IR laser pulses