Tight-binding models for hot dense hydrogen
Physical Review B, ISSN: 0163-1829, Vol: 50, Issue: 13, Page: 9118-9124
1994
- 36Citations
- 3Captures
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Article Description
In order to understand the structure and dynamics of hot dense hydrogen, a tight-binding model for hydrogen is developed by fitting the energies of the hydrogen molecule and various crystal structures of solid hydrogen. Pair correlation functions and self-diffusion coefficients obtained from tight-binding molecular-dynamics simulations on relatively large systems for long time scales compare very well with density-functional molecular-dynamics results at various densities (0.1-3 g cm-3) and temperatures (0.1-5 eV). © 1994 The American Physical Society.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0001084907&origin=inward; http://dx.doi.org/10.1103/physrevb.50.9118; http://www.ncbi.nlm.nih.gov/pubmed/9974956; https://link.aps.org/doi/10.1103/PhysRevB.50.9118; http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.50.9118/fulltext; http://link.aps.org/article/10.1103/PhysRevB.50.9118
American Physical Society (APS)
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