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

Title
Determination of a Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Carbon Under Extreme Pressures and Temperatures
Authors
Keywords
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Journal
Journal of Physical Chemistry C
Volume 117, Issue 15, Pages 7885-7894
Publisher
American Chemical Society (ACS)
Online
2013-03-20
DOI
10.1021/jp312759j

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