Oxide potentials from ab initio molecular dynamics: An assessment of their transferability
The potentials to transfer equally well between chemically similar systems, according to well-defined, physically motivated rules involving ion radii and polarizabilities were shown. These scaling rules allow one to transmute a potential for a given element in order to obtain a very reasonable first...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2003
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