A 'magnetic' interatomic potential for molecular dynamics simulations

  • Dudarev S
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Abstract

... 7098 SL Dudarev and PM Derlet using the generalized gradient approximation (GGA) [4–6]. A recent tight-binding study [7] also showed the significance of the magnetic contribution to the energy of interaction between atoms in α-iron. ... Page 5. 7100 SL Dudarev and PM Derlet ...

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Authors

  • S L Dudarev

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