An Orbital-free Molecular Dynamics Study of Static and Dynamic Properties of Liquid Sn

An Orbital-free Molecular Dynamics Study of Static and Dynamic Properties of Liquid Sn

The static and dynamic properties of liquid Sn at two different thermodynamic states have been studied from the Orbital Free Ab-Initio Molecular Dynamics (OFAIMD) simulation method. This method is based on the density functional theory (DFT) of Hohenberg and Kohn. The exchange and correlation interac...

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Bibliographic Details
Main Authors: González D.J., González L.E., Bhuiyan G. M.
Format: Article
Language:English
Published: EDP Sciences 2011-05-01
Series:EPJ Web of Conferences
Subjects:
Static and dynamic properties
liquid metals
OFAIMD
DFT
LDA
Pseudopotential
Online Access:http://dx.doi.org/10.1051/epjconf/20111501011

Internet

http://dx.doi.org/10.1051/epjconf/20111501011

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