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...
Clasificación: | Libro Electrónico |
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Autor principal: | |
Otros Autores: | |
Formato: | Electrónico eBook |
Idioma: | Inglés |
Publicado: |
Providence, Rhode Island :
American Mathematical Society,
[2012]
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Colección: | Memoirs of the American Mathematical Society ;
no. 1040. |
Temas: | |
Acceso en línea: | Texto completo |
Tabla de Contenidos:
- 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.