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Mathematics > Analysis of PDEs

arXiv:2212.01142v5 (math)
[Submitted on 2 Dec 2022 (v1) , last revised 11 Jun 2024 (this version, v5)]

Title: Existence of minimizers for the Dirac-Fock model of crystals

Title: 晶体的Dirac-Fock模型的极小值的存在性

Authors:Isabelle Catto (CEREMADE), Long Meng (CERMICS), Eric Paturel (LMJL), Eric Séré (CEREMADE)
Abstract: Whereas many different models exist in the mathematical and physics literature for 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.
Abstract: 尽管在数学和物理文献中存在许多关于非相对论晶体基态的不同模型,但相对论情况研究得要少得多,我们并不了解任何关于晶体完全相对论处理的数学结果。 在本文中,我们根据周期性密度矩阵,引入了晶体的平均场相对论能量。 该模型既受到我们其中一人最近定义的原子和分子的狄拉克-福克基态的启发,也受到晶体非相对论哈特里-福克模型的启发。 当每个晶胞中的电子数不太大时,我们证明了基态的存在。
Subjects: Analysis of PDEs (math.AP) ; Mathematical Physics (math-ph); Quantum Physics (quant-ph)
Cite as: arXiv:2212.01142 [math.AP]
  (or arXiv:2212.01142v5 [math.AP] for this version)
  https://doi.org/10.48550/arXiv.2212.01142
arXiv-issued DOI via DataCite
Journal reference: Archive for Rational Mechanics and Analysis 248 (2024), issue 4, article 63
Related DOI: https://doi.org/10.1007/s00205-024-01988-8
DOI(s) linking to related resources

Submission history

From: Eric Sere [view email]
[v1] Fri, 2 Dec 2022 12:44:03 UTC (42 KB)
[v2] Thu, 31 Aug 2023 09:05:36 UTC (54 KB)
[v3] Tue, 16 Apr 2024 08:19:09 UTC (59 KB)
[v4] Tue, 28 May 2024 12:23:48 UTC (59 KB)
[v5] Tue, 11 Jun 2024 06:28:26 UTC (59 KB)
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