| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1592904 | Solid State Communications | 2011 | 6 Pages |
Abstract
⺠A more convergent algorithm is proposed to obtain the band edges from the moments. ⺠The combination of this band edge algorithm and the LMPO are able to converge to the tight-binding results. ⺠The whole methodology should prove important for reliable interatomic potential construction at atomistic level.
Keywords
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Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
T. Qin,