Existence of Minimizers for the Dirac-Fock Model of Crystals

被引:1
作者
Catto, Isabelle [1 ]
Meng, Long [2 ]
Paturel, Eric [3 ]
Sere, Eric [1 ]
机构
[1] Univ PSL, Univ Paris Dauphine, CEREMADE, CNRS, F-75016 Paris, France
[2] Ecole Ponts ParisTech, CERMICS, 6 & 8 Ave Pascal, F-77455 Marne La Vallee, France
[3] Univ Nantes, Lab Math J Leray, UMR CNRS 6629, F-44322 Nantes, France
基金
欧洲研究理事会;
关键词
FIELD THEORY; EQUATIONS; ATOMS; ENERGY; LIMIT;
D O I
10.1007/s00205-024-01988-8
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
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.
引用
收藏
页数:63
相关论文
共 41 条
[1]  
[Anonymous], 1998, Oxford Mathematical Monographs
[2]   ERROR BOUND FOR THE HARTREE-FOCK ENERGY OF ATOMS AND MOLECULES [J].
BACH, V .
COMMUNICATIONS IN MATHEMATICAL PHYSICS, 1992, 147 (03) :527-548
[3]   Remarks on the Mittleman max-min variational method for the electron-positron field [J].
Barbaroux, JM ;
Helffer, B ;
Siedentop, H .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 2006, 39 (01) :85-98
[4]   On the Hartree-Fock equations of the electron-positron field [J].
Barbaroux, JM ;
Farkas, W ;
Helffer, B ;
Siedentop, H .
COMMUNICATIONS IN MATHEMATICAL PHYSICS, 2005, 255 (01) :131-159
[5]   Some connections between Dirac-Fock and electron-positron Hartree-Fock [J].
Barbaroux, JM ;
Esteban, MJ ;
Séré, E .
ANNALES HENRI POINCARE, 2005, 6 (01) :85-102
[6]   A new approach to the modeling of local defects in crystals: The reduced Hartree-Fock case [J].
Cances, Eric ;
Deleurence, Amelie ;
Lewin, Mathieu .
COMMUNICATIONS IN MATHEMATICAL PHYSICS, 2008, 281 (01) :129-177
[7]   On some periodic Hartree-type models for crystals [J].
Catto, I ;
Le Bris, C ;
Lions, PL .
ANNALES DE L INSTITUT HENRI POINCARE-ANALYSE NON LINEAIRE, 2002, 19 (02) :143-190
[8]   On the thermodynamic limit for Hartree-Fock type models [J].
Catto, I ;
Le Bris, C ;
Lions, PL .
ANNALES DE L INSTITUT HENRI POINCARE-ANALYSE NON LINEAIRE, 2001, 18 (06) :687-760
[9]  
Catto I., 2000, Mathematical Models and Methods for Ab Initio Quantum Chemistry, V74, P95, DOI [10.1007/978-3-642-57237-15, DOI 10.1007/978-3-642-57237-15]
[10]   FROM QUANTUM ELECTRODYNAMICS TO MEAN-FIELD THEORY .1. THE BOGOLIUBOV-DIRAC-FOCK FORMALISM [J].
CHAIX, P ;
IRACANE, D .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1989, 22 (23) :3791-3814