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Origin of fine stru...
Origin of fine structures on the dissociative 1s ->sigma* resonance in X-ray absorption spectra of O-2
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- Velkov, Yasen (author)
- KTH,Teoretisk kemi
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Kimberg, Victor (author)
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Kosugi, Nobuhiro (author)
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- Salek, Pawel (author)
- KTH,Teoretisk kemi
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- Gel'mukhanov, Faris (author)
- KTH,Teoretisk kemi
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(creator_code:org_t)
- Elsevier BV, 2009
- 2009
- English.
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In: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 476:4-6, s. 147-150
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- We attempt to explain a puzzling long-tailed peak shape of the X-ray absorption spectrum of the oxygen molecule in the energy region around 539 eV taking into account the Rydberg-valence and vibronic couplings. The long-tailed feature is found to arise from two dissociative sigma* states and the sudden drop in intensity is related to decrease in transition dipole near the crossing point between the repulsive sigma* and weak 3s Rydberg states with the quartet ion cores. This is supported by numerical wave-packet simulations allowing for all interchannel couplings between the Rydberg and valence manifolds with the quartet and doublet ion cores in a diabatic representation of the core-excited states.
Keyword
- k-edge spectra
- raman-scattering
- high-resolution
- spectroscopy
- valence
- excitation
- dynamics
- molecule
- o2
Publication and Content Type
- ref (subject category)
- art (subject category)
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