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arXiv 2212.01142math.APmath-phmath.MPquant-ph
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晶体 Dirac-Fock 模型极小化子的存在性

Existence of minimizers for the Dirac-Fock model of crystals

Isabelle Catto, Long Meng, Eric Paturel, Eric Séré

AI总结:

本文针对晶体完全相对论处理的研究空白,提出了一种基于周期密度矩阵的晶体平均场相对论能量模型,并证明了当每个晶胞电子数不太大时基态的存在性。

摘要:

尽管数学和物理文献中存在许多关于非相对论晶体基态的模型,但相对论情形的研究要少得多,我们尚未知晓任何关于晶体完全相对论处理的数学结果。在本文中,我们引入了一个用周期密度矩阵表示的晶体平均场相对论能量。该模型受启发于我们中一位作者近期提出的关于原子和分子的 Dirac-Fock 基态定义,以及非相对论 Hartree-Fock 晶体模型。我们证明了当每个晶胞的电子数不太大时基态的存在性。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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