Existence of Minimizers for the Dirac–Fock Model of Crystals

IF 2.6 1区 数学 Q1 MATHEMATICS, APPLIED Archive for Rational Mechanics and Analysis Pub Date : 2024-06-25 DOI:10.1007/s00205-024-01988-8
Isabelle Catto, Long Meng, Éric Paturel, Éric Séré
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Abstract

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.

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晶体的狄拉克-福克模型存在最小值
虽然数学和物理学中存在许多不同的非相对论晶体基态模型,但相对论情况的研究要少得多,我们还不知道任何关于晶体完全相对论处理的数学结果。在本文中,我们用周期性密度矩阵引入了晶体的均场相对论能量。这个模型的灵感既来自我们其中一人最近对原子和分子的狄拉克-福克基态的定义,也来自晶体的非相对论哈特里-福克模型。我们证明了当每个单元的电子数不是太多时,基态是存在的。
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来源期刊
CiteScore
5.10
自引率
8.00%
发文量
98
审稿时长
4-8 weeks
期刊介绍: The Archive for Rational Mechanics and Analysis nourishes the discipline of mechanics as a deductive, mathematical science in the classical tradition and promotes analysis, particularly in the context of application. Its purpose is to give rapid and full publication to research of exceptional moment, depth and permanence.
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