| 1. |
- Hennies, F., et al.
(författare)
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Dynamic interpretation of resonant x-ray Raman scattering : ethylene and benzene
- 2007
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 76:3, s. 032505-
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Tidskriftsartikel (refereegranskat)abstract
- We present a dynamic interpretation of resonant x-ray Raman scattering where vibrationally selective excitation into molecular resonances has been employed in comparison with excitation into higher lying continuum states for condensed ethylene and benzene as molecular model systems. In order to describe the purely vibrational spectral loss features and coupled electronic and vibrational losses the one-step theory for resonant soft x-ray scattering is applied, taking multiple vibrational modes and vibronic coupling into account. The scattering profile is found to be strongly excitation energy dependent and to reflect the intermediate states dynamics of the scattering process. In particular, the purely vibrational loss features allow one to map the electronic ground state potential energy surface in light of the excited state dynamics. Our study of ethylene and benzene underlines the necessity of an explicit description of the coupled electronic and vibrational loss features for the assignment of spectral features observed in resonant x-ray Raman scattering at polyatomic systems, which can be done in both a time independent and a time dependent picture. The possibility to probe ground state vibrational properties opens a perspective to future applications of this photon-in-photon-out spectroscopy.
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| 2. |
- Hennies, F., et al.
(författare)
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Non-Adiabatic effects in Resonant Inelastic x-ray Scattering
- 2005
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 95:16, s. 163002-
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Tidskriftsartikel (refereegranskat)abstract
- We have studied the spectral features of resonant inelastic x-ray scattering of condensed ethylene with vibrational selectivity both experimentally and theoretically. Purely vibrational spectral loss features and coupled electronic and vibrational losses are observed. The one-step theory for resonant soft x-ray scattering is applied, taking multiple vibrational modes and vibronic coupling into account. Our investigation of ethylene underlines that the assignment of spectral features observed in resonant inelastic x-ray scattering of polyatomic systems requires an explicit description of the coupled electronic and vibrational loss features.
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| 3. |
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| 4. |
- Nordlund, Dennis, et al.
(författare)
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Probing the Electron Delocalization in Liquid Water and Ice at Attosecond Time Scales
- 2007
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Ingår i: Physical Review Letters. - : American Physical Society. - 1079-7114 .- 0031-9007. ; 99, s. 217406-
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Tidskriftsartikel (refereegranskat)abstract
- We determine electron delocalization rates in liquid water and ice using core-hole decay spectroscopy. The hydrogen-bonded network delocalizes the electrons in less than 500 as. Broken or weak hydrogen bonds—in the liquid or at the surface of ice—provide states where the electron remains localized longer than 20 fs. These asymmetrically bonded water species provide electron traps, acting as a strong precursor channel to the hydrated electron.
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| 7. |
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| 8. |
- Kjeldgaard, Lisbeth, et al.
(författare)
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Intramolecular vibronic dynamics in molecular solids: C60
- 2005
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Ingår i: Physical Review B (Condensed Matter and Materials Physics). - 1098-0121. ; 72:20
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Tidskriftsartikel (refereegranskat)abstract
- Vibronic coupling in solid C60 has been investigated with a combination of resonant photoemission spectroscopy (RPES) and resonant inelastic x-ray scattering (RIXS). Excitation as a function of energy within the lowest unoccupied molecular orbital resonance yielded strong oscillations in intensity and dispersion in RPES, and a strong inelastic component in RIXS. Reconciling these two observations establishes that vibronic coupling in this core hole excitation leads to predominantly inelastic scattering and localization of the excited vibrations on the molecule on a femtosecond time scale. The coupling extends throughout the widths of the frontier valence bands.
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| 9. |
- Schiessling, J, et al.
(författare)
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Bulk and surface charge states of K3C60
- 2005
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Ingår i: Physical Review B (Condensed Matter and Materials Physics). - 1098-0121. ; 71:16
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Tidskriftsartikel (refereegranskat)abstract
- We detect a significant angle-dependence in the core level and valence line shapes of photoelectron spectra of single crystal K3C60. This allows the identification of bulk and surface components in the data, and allows us to explain the anomalous line shapes observed for this system. The states near the Fermi level are associated with the bulk of the sample. There is strong evidence of an insulating surface layer, which we ascribe to intermolecular electron correlations. These results simplify the interpretation of previous, apparently conflicting observations.
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