Please use this identifier to cite or link to this item:
Type: Artigo de periódico
Title: Lattice Vibrations And Alloying: A Model Inspired In The Density Functional
Author: Ferreira L.G.
Boselli M.A.
Abstract: By modeling the kinetic-exchange-correlation functional it is possible to find a Hamiltonian for alloying and lattice vibrations consisting of pair interactions plus a homogeneous gas term. The pair interaction is not purely electrostatic, or based on the dielectric constant, but depends on the kinetic-exchange-correlation energy. By parameterizing the pair interaction in the reciprocal space with cubic splines one obtains a simple scheme for fitting experimental and first-principles data. © 1995.
Rights: fechado
Identifier DOI: 10.1016/0038-1098(95)00543-9
Date Issue: 1995
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
File Description SizeFormat 
2-s2.0-0029530556.pdf470.69 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.