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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 |
|---|---|
| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Providence, Rhode Island :
American Mathematical Society,
[2012]
|
| Colección: | Memoirs of the American Mathematical Society ;
no. 1040. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 072 | 7 | |a SCI |x 016000 |2 bisacsh | |
| 082 | 0 | 4 | |a 548.8420153154 |
| 049 | |a UAMI | ||
| 100 | 1 | |a E, Weinan, |d 1963- | |
| 245 | 1 | 4 | |a The Kohn-Sham equation for deformed crystals / |c Weinan E, Jianfeng Lu. |
| 264 | 1 | |a Providence, Rhode Island : |b American Mathematical Society, |c [2012] | |
| 264 | 4 | |c ©2012 | |
| 300 | |a 1 online resource (v, 97 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Memoirs of the American Mathematical Society, |x 0065-9266 ; |v v. 221, no. 1040 | |
| 500 | |a "Volume 221, number 1040 (fourth of 5 numbers) January 2013." | ||
| 504 | |a Includes bibliographical references (page 97). | ||
| 520 | 3 | |a "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 electronic structure of the deformed crystal under the following physical conditions: (1) the band structure of the undeformed crystal has a gap, i.e. the crystal is an insulator, (2) the charge density waves are stable, and (3) the macroscopic dielectric tensor is positive definite. The effective equation governing the piezoelectric effect of a material is rigorously derived. Along the way, we also establish a number of fundamental properties of the Kohn-Sham map." | |
| 588 | 0 | |a PDF (http://www.ams.org viewed November 20, 2012). | |
| 505 | 0 | 0 | |t Chapter 1. Introduction |t Chapter 2. Perfect crystal |t Chapter 3. Stability condition |t Chapter 4. Homogeneously deformed crystal |t Chapter 5. Deformed crystal and the extended Cauchy-Born rule |t Chapter 6. The linearized Kohn-Sham operator |t Chapter 7. Proof of the results for the homogeneously deformed crystal |t Chapter 8. Exponential decay of the resolvent |t Chapter 9. Asymptotic analysis of the Kohn-Sham equation |t Chapter 10. Higher order approximate solution to the Kohn-Sham equation |t Chapter 11. Proofs of Lemmas 5.3 and 5.4 |t Appendix A. Proofs of Lemmas 9.3 and 9.9. |
| 546 | |a English. | ||
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
| 650 | 0 | |a Dislocations in crystals |x Mathematical models. | |
| 650 | 0 | |a Deformations (Mechanics) |x Mathematical models. | |
| 650 | 0 | |a Density functionals. | |
| 650 | 6 | |a Dislocations dans les cristaux |x Modèles mathématiques. | |
| 650 | 6 | |a Déformations (Mécanique) |x Modèles mathématiques. | |
| 650 | 6 | |a Fonctionnelles densité. | |
| 650 | 7 | |a SCIENCE |x Physics |x Crystallography. |2 bisacsh | |
| 650 | 7 | |a Deformations (Mechanics) |x Mathematical models |2 fast | |
| 650 | 7 | |a Density functionals |2 fast | |
| 650 | 7 | |a Dislocations in crystals |x Mathematical models |2 fast | |
| 700 | 1 | |a Lu, Jianfeng, |d 1983- | |
| 776 | 0 | 8 | |i Print version: |a E, Weinan, 1963- |t Kohn-Sham equation for deformed crystals |z 9780821875605 |w (DLC) 2012035213 |w (OCoLC)813919259 |
| 830 | 0 | |a Memoirs of the American Mathematical Society ; |v no. 1040. |x 0065-9266 | |
| 856 | 4 | 0 | |u https://ebookcentral.uam.elogim.com/lib/uam-ebooks/detail.action?docID=3114438 |z Texto completo |
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