Monday, April 08, 2013

Determination of a Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Carbon Under Extreme Pressures and Temperatures

Nir Goldman, Sriram Goverapet Srinivasan, Sebastien Hamel, Laurence E. Fried, Michael Gaus and Marcus Elstner



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The Journal of Physical Chemistry C

DOI: 10.1021/jp312759j






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