Liquid xenon as an ideal probe for many-body effects in impulsive Raman scattering
| Autor: | Nienke H. Boeijenga, Audrius Pugzlys, Jaap G. Snijders, Koos Duppen, Thomas L. C. Jansen |
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| Přispěvatelé: | Theoretical Chemistry, Faculty of Science and Engineering |
| Rok vydání: | 2002 |
| Předmět: |
Analytical chemistry
General Physics and Astronomy chemistry.chemical_element Electron Molecular physics symbols.namesake Xenon Atomic orbital Polarizability Physics::Atomic and Molecular Clusters Physical and Theoretical Chemistry Anisotropy SPECTROSCOPY ATOMIC LIQUID Chemistry OPTICAL KERR DYNAMICS TIME-CORRELATION-FUNCTION INTERMOLECULAR DYNAMICS DEPOLARIZED LIGHT-SCATTERING MOLECULAR-DYNAMICS BINARY-SOLUTIONS symbols Density functional theory INSTANTANEOUS-NORMAL-MODE Raman spectroscopy CS2 Raman scattering |
| Zdroj: | Journal of Chemical Physics, 117(3), 1181-1187. AMER INST PHYSICS |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.1483862 |
| Popis: | The collision induced effects in the third-order Raman response of liquid xenon have been studied both experimentally and theoretically. The effect of electron cloud overlap on the polarizability of xenon dimers was studied using accurate time-dependent density functional theory calculations. The dimer polarizabilities were used to fit parameters in a direct reaction field model that can be generalized to condensed phase systems. This model was employed in molecular dynamics simulations in order to calculate the impulsive Raman response of liquid xenon. Excellent agreement is found between the shape of the calculated and the measured anisotropic part of the response. The shape of this response is little affected by the electron overlap effects, but the intensity is strongly influenced by it. The shape of the isotropic response is predicted to be strongly dependent on electron overlap effects. |
| Databáze: | OpenAIRE |
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