Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Flore (Florence Rese...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
https://doi.org/10.1103/physre...
Article . 1992 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
Data sources: Crossref
versions View all 3 versions
addClaim

Frequency moments and spectral shape of quantum chains

Authors: CUCCOLI, ALESSANDRO; TOGNETTI, VALERIO; A. A. MARADUDIN; A. R. MC GURN; R. VAIA;

Frequency moments and spectral shape of quantum chains

Abstract

The spectral shape of the displacement correlation function of a quantum chain of atoms interacting through a nearest-neighbor potential is approached at all temperatures and wave vectors by the evaluation of the related frequency moments. The latter ones have been obtained, until the sixth one, by using an effective potential derived by a variational approach to the path-integral formulation of the quantum statistical mechanics. This method allows us to reduce the computation of quantum averages of time-independent functions to classical-like space integrals, so that all the tools developed for classical calculations can be again applied. Explicit results for the Lennard-Jones potential are presented and tested against extensive quantum path-integral Monte Carlo simulations, where an improved Trotter extrapolation procedure is also used. The good agreement between the two calculations confirms the apparent strong simplification introduced by the variational method in the evaluation of the quantum averages when the quantum coupling can be treated semiclassically. The reconstruction of the dynamical behavior of the system through the knowledge of a sufficient number of moments appears realistic. Explicit spectral shapes of Lennard-Jones chains are given, showing the relevance of the quantum effects.

Country
Italy
Keywords

Quantum chains; Potenziale efficace; Path Integrals; quantum Monte Carlo

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    33
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
33
Average
Top 10%
Top 10%
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!