The Kohn-Sham Equation for Deformed Crystals

Released on by Weinan E
preview-18

  • The Kohn-Sham Equation for Deformed Crystals Book Detail

  • Author : Weinan E
  • Release Date : 2013-01-25
  • Publisher : American Mathematical Soc.
  • Genre : Mathematics
  • Pages : 109
  • ISBN 13 : 0821875604
  • File Size : 96,96 MB
DOWNLOAD BOOK

The Kohn-Sham Equation for Deformed Crystals by Weinan E PDF Summary

Book Description: 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, the authors also establish a number of fundamental properties of the Kohn-Sham map.

Disclaimer: www.yourbookbest.com does not own The Kohn-Sham Equation for Deformed Crystals books pdf, neither created or scanned. We just provide the link that is already available on the internet, public domain and in Google Drive. If any way it violates the law or has any issues, then kindly mail us via contact us page to request the removal of the link.

Density Functional Theory

Density Functional Theory

File Size : 19,19 MB
Total View : 3048 Views
DOWNLOAD

Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics.