Environmentally dependent bond-order potentials: New developments and applications
The bond-order potentials (BOPs) idea employs the orthogonal two-centre tight-binding (TB) representation for the bond energy and the Harris-Foulkes approximation for the repulsive pairwise contribution. In the last ten years, although many efforts have been focused on theoretical calculations of th...
| Main Authors: | , , , , , |
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| Format: | Conference item |
| Published: |
2003
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