Spectral shapes of solid neon

Details Spectral shapes of solid neon Spectral shapes of solid neon

1998-05-05

arxiv.org/abs/cond-mat/9805047v1

J. Phys.: Condens. Matter 10, L417 (1998)

Physics

Condensed Matter

3 pages, 2 figures, 3 tables

Scientific paper

10.1088/0953-8984/10/25/001

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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