Как выбрать гостиницу для кошек
14 декабря, 2021
For a free electron gas with Fermi wavevector kF, the energy U of volume O is5 h2kF
10я2 me
This contribution to the energy of the condensed phase generates no interatomic force since U is independent of the atomic positions. However, its contribution is significant: metallic cohesive energy and bulk moduli are correct to within an order of magnitude. Consideration of this term gives some justification for ignoring the cohesive energy and bulk modulus in fitting a potential, and fitting shear moduli, vacancy, or surface energies instead. The discrepancy is absorbed by a putative free electron contribution which does not contribute to the interatomic atomic forces in a constant volume ensemble calculation.
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