Existence of Minimizers for the Dirac–Fock Model of Crystals

Whereas many different models exist in mathematics and physics for the ground states of non-relativistic crystals, the relativistic case has been much less studied, and we are not aware of any mathematical result on a fully relativistic treatment of crystals. In this paper, we introduce a mean-field...

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Veröffentlicht in:Archive for rational mechanics and analysis 2024-08, Vol.248 (4), p.63, Article 63
Hauptverfasser: Catto, Isabelle, Meng, Long, Paturel, Éric, Séré, Éric
Format: Artikel
Sprache:eng
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Zusammenfassung:Whereas many different models exist in mathematics and physics for the ground states of non-relativistic crystals, the relativistic case has been much less studied, and we are not aware of any mathematical result on a fully relativistic treatment of crystals. In this paper, we introduce a mean-field relativistic energy for crystals in terms of periodic density matrices. This model is inspired both from a recent definition of the Dirac–Fock ground state for atoms and molecules, due to one of us, and from the non-relativistic Hartree–Fock model for crystals. We prove the existence of a ground state when the number of electrons per cell is not too large.
ISSN:0003-9527
1432-0673
DOI:10.1007/s00205-024-01988-8