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Spectral shapes of solid neon

Gaia Pedrolli·Alessandro Cuccoli·Alessandro Macchi·Valerio Tognetti·Ruggero Vaia
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Abstract

We present a Path Integral Monte Carlo calculation of the first three moments of the displacement-displacement correlation functions of solid neon at different temperatures for longitudinal and transverse phonon modes. The Lennard-Jones potential is considered. The relevance of the quantum effects on the frequency position of the peak and principally on the line-width of the spectral shape is clearly pointed out. The spectrum is reconstructed via a continued fraction expansion; the approximations introduced using the effective potential quantum molecular dynamics are discussed.

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Gaia Pedrolli, Alessandro Cuccoli, Alessandro Macchi, Valerio Tognetti, Ruggero Vaia. 1998-05-05. Spectral shapes of solid neon. https://doi.org/10.1088/0953-8984%2F10%2F25%2F001

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