Time-resolved x-ray/optical pump-probe simulations on N2 molecules

• Verfasst von: Hanna, Athiya Mahmud [VerfasserIn]
• Verfasst von: Vendrell, Oriol [VerfasserIn]
• Verfasst von: Santra, Robin [VerfasserIn]
• Titel: Time-resolved x-ray/optical pump-probe simulations on N2 molecules
• Verf.angabe: Athiya Mahmud Hanna, Oriol Vendrell, and Robin Santra
• E-Jahr: 2019
• Jahr: 18 March 2019
• Umfang: 10 S.
• Fussnoten: Im Titel ist bei N2 die Zahl zwei tiefgestellt ; Gesehen am 26.03.2020
• Titel Quelle: Enthalten in: Structural dynamics
• Ort Quelle: Melville, NY : AIP Publishing LLC, 2014
• Jahr Quelle: 2019
• Band/Heft Quelle: 7(2019,2) Artikel-Nummer 024101, 10 Seiten
• ISSN Quelle: 2329-7778
• DOI: doi:10.1063/1.5053995
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 1693245396

Abstract

The dynamics of N22+N22+<math display="inline" overflow="scroll" altimg="eq-00001.gif"> <mrow> <msup> <mrow> <msub> <mi mathvariant="normal">N</mi> <mn>2</mn></msub> </mrow> <mrow> <mn>2</mn> <mo>+</mo></mrow></msup></mrow></math> dications after x-ray-induced Auger decay and their probing with a delayed infrared probe pulse are theoretically investigated based on a quantum-mechanical model including all relevant electronic states for which wave-packet calculations on ab-initio potential energy curves are performed. Our results demonstrate that the N22+N22+<math display="inline" overflow="scroll" altimg="eq-00002.gif"> <mrow> <msup> <mrow> <msub> <mi mathvariant="normal">N</mi> <mn>2</mn></msub> </mrow> <mrow> <mn>2</mn> <mo>+</mo></mrow></msup></mrow></math> yield modulated by the delay of the probe pulse contains dynamical information on the wave-packet evolution in the quasi-bound final electronic states. The Fourier transform of the calculated yield can be readily compared to experimental results [Fung et al., Nature 532, 471 (2016)] and good agreement of the main frequencies is found. Moreover, assignment of these frequencies to specific vibrational energy levels in the quasi-bound potentials is reported as well.