Abstract
The Raman spectrum of water in the translational frequency regime has been interpreted in terms of the localized vibrational density of states and, in seeming contradiction, (ii) in terms of contributions of long-range dipole induced dipole (DID) reactions. We show that these two interpretations are consistent by calculating the Raman spectrum from the ormal modes of the inherent liquid structures. We obtain the DID Raman spectra from linear contributions of each individual mode, and show that the aggregate spectrum obtained is in good agreement with both the DID spectrum obtained directly from a molecular dynamics simulation and the spectrum obtained by simulating harmonic dynamics (i.e., exciting all the modes at once and calculating the DID spectrum from the resulting dynamical trajectory of the system).
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© 1994 Springer Science+Business Media Dordrecht
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Sastry, S., Stanley, H.E., Sciortino, F. (1994). Low Frequency Raman Spectra in Water by Normal Mode Analysis. In: Bellissent-Funel, MC., Dore, J.C. (eds) Hydrogen Bond Networks. NATO ASI Series, vol 435. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-8332-9_19
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DOI: https://doi.org/10.1007/978-94-015-8332-9_19
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