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.

Spectral shapes of solid neon

1998

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.
1998
Istituto dei Sistemi Complessi - ISC
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/118721
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? 2
social impact