Solutions of the Dirac–Fock Equations for Atoms¶and Molecules

被引：0

作者：

Maria J. Esteban

Eric Séré

机构：

[1] Ceremade (URA CNRS 749),

[2] CNRS et Université Paris-Dauphine,undefined

[3] Place du Maréchal de Lattre de Tassigny,undefined

[4] F-75775 Paris Cedex 16,undefined

[5] France,undefined

[6] Département de Mathématiques,undefined

[7] Université de Cergy-Pontoise,undefined

[8] 2 Av. Adolphe Chauvin,undefined

[9] ¶F-95302 Cergy-Pontoise Cedex,undefined

[10] France,undefined

来源：

Communications in Mathematical Physics | 1999年 / 203卷

关键词：

Experimental Data; Variational Method; Heavy Atom; Yield Result; Nuclear Charge;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The Dirac–Fock equations are the relativistic analogue of the well-known Hartree–Fock equations. They are used in computational chemistry, and yield results on the inner-shell electrons of heavy atoms that are in very good agreement with experimental data. By a variational method, we prove the existence of infinitely many solutions of the Dirac–Fock equations “without projector”, for Coulomb systems of electrons in atoms, ions or molecules, with Z≤ 124, N≤ 41, N≤ Z. Here, Z is the sum of the nuclear charges in the molecule, N is the number of electrons.

引用

页码：499 / 530

页数：31