Cornell University
Department of Physics
Phys 480/680, Astro 690 April 26, 2007
Computational Physics, Spring 2007
Homework Assignment # 10
(Due Wednesday, May 2 at 5:00pm)
Agenda and readings:
Goal: DFT calculations of solids!!!
Readings marked NR are from Numerical Recipes: The Art of
Scientific Computing, 2
edition (in C). Readings
marked LN are from the course lecture notes to be found at
http://www.muchomas.lassp.cornell.edu/P480.
Recap:
- 04/24 Lec 23 (Tue) Finish extraction of eigenstates from variational principle; Further optimizations for spectral methods; minimal, isotropic spectral representations
- 04/26 Lec 24 (Thu) ab initio pseudopotentials
- 04/26 Lab 9 (Thu) Performance of numerical minimization techniques; preconditioner for quantum calculations
Preview of final weeks of class:
- 05/01 Lec 25 (Tue): FFT; Theoretical background for density functional theory (time permitting)
Reading: 12.2.
- 05/03 Lab 10 (Thu): Physics of simple harmonic oscillator, quantum dot, hydrogen molecule, and germanium solid; final discussion.
Tomas Arias
2007-04-26
