Multilayer atomic cluster expansion for semilocal interactions
Traditionally, interatomic potentials assume local bond formation supplemented by long-range electrostatic interactions when necessary. This ignores intermediate-range multiatom interactions that arise from the relaxation of the electronic structure. Here, we present the multilayer atomic cluster ex...
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| Principais autores: | , , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
American Physical Society
2022-11-01
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| Serija: | Physical Review Research |
| Online dostop: | http://doi.org/10.1103/PhysRevResearch.4.L042019 |
| Oznake: |
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