The Kohn-Sham equation for deformed crystals /

"The solution to the Kohn-Sham equation in the density functional theory of the quantum many-body problem is studied in the context of the electronic structure of smoothly deformed macroscopic crystals. An analog of the classical Cauchy-Born rule for crystal lattices is established for the elec...

Full description

Bibliographic Details
Call Number:Libro Electrónico
Main Author: E, Weinan, 1963-
Other Authors: Lu, Jianfeng, 1983-
Format: Electronic eBook
Language:Inglés
Published: Providence, Rhode Island : American Mathematical Society, [2012]
Series:Memoirs of the American Mathematical Society ; no. 1040.
Subjects:
Dislocations in crystals > Mathematical models.
Deformations (Mechanics) > Mathematical models.
Density functionals.
Dislocations dans les cristaux > Modèles mathématiques.
Déformations (Mécanique) > Modèles mathématiques.
Fonctionnelles densité.
SCIENCE > Physics > Crystallography.
Deformations (Mechanics) > Mathematical models
Density functionals
Dislocations in crystals > Mathematical models
Online Access:Texto completo
Table of Contents:
  • Chapter 1. Introduction Chapter 2. Perfect crystal Chapter 3. Stability condition Chapter 4. Homogeneously deformed crystal Chapter 5. Deformed crystal and the extended Cauchy-Born rule Chapter 6. The linearized Kohn-Sham operator Chapter 7. Proof of the results for the homogeneously deformed crystal Chapter 8. Exponential decay of the resolvent Chapter 9. Asymptotic analysis of the Kohn-Sham equation Chapter 10. Higher order approximate solution to the Kohn-Sham equation Chapter 11. Proofs of Lemmas 5.3 and 5.4 Appendix A. Proofs of Lemmas 9.3 and 9.9.

Similar Items