The Kohn Sham Equation for Deformed Crystals is popular PDF and ePub book, written by Weinan E in 2012, it is a fantastic choice for those who relish reading online the Deformations (Mechanics) genre. Let's immerse ourselves in this engaging Deformations (Mechanics) book by exploring the summary and details provided below. Remember, The Kohn Sham Equation for Deformed Crystals can be Read Online from any device for your convenience.
The Kohn Sham Equation for Deformed Crystals Book PDF Summary
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.
Detail Book of The Kohn Sham Equation for Deformed Crystals PDF
- Author : Weinan E
- Release : 29 September 2024
- Publisher : Unknown
- ISBN : 0821894668
- Genre : Deformations (Mechanics)
- Total Page : 97 pages
- Language : English
- PDF File Size : 7,6 Mb
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