Materials 288N
First-principles Calculations for
Materials
Chris G. Van de Walle
Materials Department, UCSB
Introduction
September 27, 2007
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First-principles Calculations for Materials
Instructor: Chris G. Van de Walle
Professor, Materials Department
Of

Materials 288N
First-principles Calculations for
Materials
Chris G. Van de Walle
Materials Department, UCSB
Introduction (part 2)
October 2, 2007
1
Independent electron approximation
Each electron moves independently of all
others, except that
electrons

Assignment 1
Read Textbook Chapter 4 (pp. 73-91)
Should be familiar (prerequisite)
May also want to consult Ashcroft & Mermin, Solid State
Physics, Chapters 4-7
Visualization
Pick a crystal structure
Describe it (Bravais lattice, basis, )
Visualize

Assignment 2
Due Tuesday, October 16, 5 pm, by email
Textbook Exercise 3.3
Start from 3.19
Hints:
Change derivative of 1/|r-R| with respect to R to
derivative with respect to r
Integration by parts
Textbook Exercise 4.21(a)
Hint: N=4
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