Distinctive onset of electron correlation in molecular tautomers
We investigate the attosecond response of the electronic cloud of a molecular system to an outer-valence ionization. The time needed for the remaining electrons to respond to a sudden perturbation in the electronic structure of the molecule is a measure of the degree of electron correlation. Using t...
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| Main Authors: | , , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
10 June 2022
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| In: |
Physical review
Year: 2022, Volume: 105, Issue: 6, Pages: 1-6 |
| ISSN: | 2469-9934 |
| DOI: | 10.1103/PhysRevA.105.062808 |
| Online Access: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1103/PhysRevA.105.062808 Verlag, lizenzpflichtig, Volltext: https://link.aps.org/doi/10.1103/PhysRevA.105.062808 
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| Author Notes: | Kalyani Chordiya, Victor Despré, Mousumi U. Kahaly, and Alexander I. Kuleff |
| Summary: | We investigate the attosecond response of the electronic cloud of a molecular system to an outer-valence ionization. The time needed for the remaining electrons to respond to a sudden perturbation in the electronic structure of the molecule is a measure of the degree of electron correlation. Using the ab initio multielectron wave-packet propagation method, we analyze the ultrafast many-body dynamics following the removal of different outer-valence electrons of two tautomers of the uracil molecule and show that this response time can be sensitive to the molecular structure and the symmetry of the ionized molecular orbital. |
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| Item Description: | Gesehen am 29.07.2022 |
| Physical Description: | Online Resource |
| ISSN: | 2469-9934 |
| DOI: | 10.1103/PhysRevA.105.062808 |