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Article Dans Une Revue Physical Review B Année : 2021

Accurate ground-state energies of Wigner crystals from a simple real-space approach

Résumé

We propose a simple and efficient real-space approach for the calculation of the ground-state energies of Wigner crystals in one, two, and three dimensions. To be precise, we calculate the first two terms in the asymptotic expansion of the total energy per electron which correspond to the classical energy and the harmonic correction due to the zero-point motion of the Wigner crystals. Our approach employs Clifford periodic boundary conditions to simulate the infinite electron gas and a renormalized distance to evaluate the Coulomb potential. This allows us to calculate the energies unambiguously and with a higher precision than those reported in the literature. Our results are in agreement with the literature values with the exception of harmonic correction of the two-dimensional Wigner crystal, for which we find a significant difference. Although we focus on the ground state, i.e., the triangular lattice and the bcc lattice in two and three dimensions, respectively, we also report the classical energies of several other common lattice structures.

Dates et versions

hal-03281185 , version 1 (08-07-2021)

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Estefania Alves, Gian Luigi Bendazzoli, Stefano Evangelisti, Arjan Berger. Accurate ground-state energies of Wigner crystals from a simple real-space approach. Physical Review B, 2021, 103 (24), pp.245125. ⟨10.1103/PhysRevB.103.245125⟩. ⟨hal-03281185⟩
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