Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon-Reference-Cited by-同舟云学术

Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon

Published:2016-03-28 Issue:12 Volume:144 Page:124510
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Desgranges Caroline¹,Delhommelle Jerome¹^ORCID

Affiliation:

1. Department of Chemistry, University of North Dakota, 151 Cornell Street Stop 9024, Grand Forks, North Dakota 58202, USA

Funder

National Science Foundation (NSF)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/144/12/1.4944619.pdf?itemId=/content/aip/journal/jcp/144/12/10.1063/1.4944619&mimeType=pdf&containerItemId=content/aip/journal/jcp

Reference140 articles.

1. Accurate van der Waals coefficients from density functional theory

2. Many-body van der Waals interactions in molecules and condensed matter

3. Prediction of the thermophysical properties of pure neon, pure argon, and the binary mixtures neon-argon and argon-krypton by Monte Carlo simulation usingab initiopotentials

4. Molecular dynamic simulations of some thermodynamic properties of mixtures of argon with neon, krypton, and xenon using two-body and three-body interaction potentials

5. Calculations of the thermophysical properties of binary mixtures of noble gases at low density from ab initiopotentials

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