Time-resolved x-ray/optical pump-probe simulations on N2 molecules
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&...
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| Main Authors: | , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
18 March 2019
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| In: |
Structural dynamics
Year: 2019, Volume: 6, Issue: 2 |
| ISSN: | 2329-7778 |
| DOI: | 10.1063/1.5053995 |
| Online Access: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1063/1.5053995 Verlag, lizenzpflichtig, Volltext: https://aca.scitation.org/doi/10.1063/1.5053995 
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| Author Notes: | Athiya Mahmud Hanna, Oriol Vendrell, and Robin Santra |
| Summary: | 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. |
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| Item Description: | Im Titel ist bei N2 die Zahl zwei tiefgestellt Gesehen am 26.03.2020 |
| Physical Description: | Online Resource |
| ISSN: | 2329-7778 |
| DOI: | 10.1063/1.5053995 |