WFRF:(Luning S.)
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LIBRIS Formathandbok (Information om MARC21)
| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 04165naa a2200481 4500 | |
| 001 | oai:lup.lub.lu.se:cac4f31e-fc1c-4206-8a67-16270c017672 | |
| 003 | SwePub | |
| 008 | 160711s2016 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://lup.lub.lu.se/record/cac4f31e-fc1c-4206-8a67-16270c0176722 URI |
| 024 | 7 | a https://doi.org/10.1103/PhysRevA.93.0325102 DOI |
| 040 | a (SwePub)lu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a art2 swepub-publicationtype |
| 072 | 7 | a ref2 swepub-contenttype |
| 100 | 1 | a Couto, Rafael C.u KTH Royal Institute of Technology,Federal University of Goiás4 aut |
| 245 | 1 0 | a Coupled electron-nuclear dynamics in resonant 1σ→2π x-ray Raman scattering of CO molecules |
| 264 | 1 | c 2016 |
| 520 | a We present a detailed experimental-theoretical analysis of O K-edge resonant 1σ-2π inelastic x-ray scattering (RIXS) from carbon monoxide with unprecedented energy resolution. We employ high-level ab initio calculations to compute the potential energy curves of the states involved in the RIXS process and simulate the measured RIXS spectra using the wave-packet-propagation formalism, including Coulomb coupling in the final-state manifold. The theoretical analysis allows us to explain all the key features of the experimental spectra, including some that were not seen before. First, we clearly show the interference effect between different RIXS channels corresponding to the transition via orthogonal Πx1 and Πy1 core-excited states of CO. Second, the RIXS region of 13 eV energy loss presents a triple structure, revealed only by the high-resolution measurement. In previous studies, this region was attributed solely to a valence state. Here we show a strong Coulomb mixing of the Rydberg and valence final states, which opens the forbidden RIXS channels to the "dark" final Rydberg states and drastically changes the RIXS profile. Third, using a combination of high-resolution experiment and high-level theory, we improve the |4σ-12π1) final-state potential-energy curve by fitting its bottom part with the experiment. Also, the coupling constants between Rydberg and valence states were refined via comparison with the experiment. Our results illustrate the large potential of the RIXS technique for advanced studies of highly excited states of neutral molecules. | |
| 650 | 7 | a NATURVETENSKAPx Kemix Fysikalisk kemi0 (SwePub)104022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Physical Chemistry0 (SwePub)104022 hsv//eng |
| 650 | 7 | a NATURVETENSKAPx Fysikx Atom- och molekylfysik och optik0 (SwePub)103022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Atom and Molecular Physics and Optics0 (SwePub)103022 hsv//eng |
| 700 | 1 | a Guarise, Marcou Paris-Sorbonne University4 aut |
| 700 | 1 | a Nicolaou, Alessandrou Synchrotron SOLEIL4 aut |
| 700 | 1 | a Jaouen, Nicolasu Synchrotron SOLEIL4 aut |
| 700 | 1 | a Chiuzbǎian, Gheorghe S.4 aut |
| 700 | 1 | a Lüning, Janu Paris-Sorbonne University4 aut |
| 700 | 1 | a Ekholm, Victoru Uppsala University4 aut |
| 700 | 1 | a Rubensson, Jan Eriku Uppsala University4 aut |
| 700 | 1 | a Såthe, Connyu Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory4 aut0 (Swepub:lu)maxl-cos |
| 700 | 1 | a Hennies, Franzu Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory4 aut0 (Swepub:lu)maxl-fhn |
| 700 | 1 | a Guimarães, Freddy F.u Federal University of Goiás4 aut |
| 700 | 1 | a Ågren, Hansu KTH Royal Institute of Technology4 aut |
| 700 | 1 | a Gel'Mukhanov, Farisu KTH Royal Institute of Technology4 aut |
| 700 | 1 | a Journel, Loïcu Paris-Sorbonne University4 aut |
| 700 | 1 | a Simon, Marcu Paris-Sorbonne University4 aut |
| 700 | 1 | a Kimberg, Victoru KTH Royal Institute of Technology4 aut |
| 710 | 2 | a KTH Royal Institute of Technologyb Federal University of Goiás4 org |
| 773 | 0 | t Physical Review A (Atomic, Molecular and Optical Physics)g 93:3q 93:3x 1050-2947 |
| 856 | 4 | u http://dx.doi.org/10.1103/PhysRevA.93.032510y FULLTEXT |
| 856 | 4 8 | u https://lup.lub.lu.se/record/cac4f31e-fc1c-4206-8a67-16270c017672 |
| 856 | 4 8 | u https://doi.org/10.1103/PhysRevA.93.032510 |
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