A CONTINUOUS FORMULATION OF THE CLUSTER VARIATION METHOD FOR ATOMIC DISPLACEMENTS

Authors
FINEL A
Citation
A. Finel, A CONTINUOUS FORMULATION OF THE CLUSTER VARIATION METHOD FOR ATOMIC DISPLACEMENTS, Progress of theoretical physics. Supplement, (115), 1994, pp. 59-68
Citations number
5
Categorie Soggetti
Physics
Journal title
Progress of theoretical physics. Supplement → ACNP
ISSN journal
03759687
Issue
115
Year of publication
1994
Pages
59 - 68
Database
ISI
SICI code
0375-9687(1994):115<59:ACFOTC>2.0.ZU;2-R
Abstract
We present a continuous formulation of the CVM for lattice site displa cements. The basic idea is to restrict the density probability functio ns to Gaussians. This leads to a very simple free energy functional wh ose variational parameters are the covariances between the atomic coor dinates.