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Cornell University
Department of Physics
Phys 480/680, Astro 690 April 15, 2002
Computational Physics, Spring 2002
Homework Assignment # 9
(Due Thursday, April 25 at 8:40 am in Computer Lab.)
Agenda and readings for the weeks of April 16 & 23:
Goals: Solution of single particle
Schrödinger equation using unconstrained minimization
techniques; minimization using steepest descents, line minimization,
preconditioning and conjugate gradients; solution of the harmonic
oscillator in d=3 dimensions.
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 of last week:
- Lec20, 04/09 (Tue: mini-lecture, 40mins): C++ continued, d=3
DFT and IDFT
- Lab7, 04/09 (Tue): SKIPPED
- Lec21, 04/11 (Thu): Aliasing of G-vectors in the DFT,
eigenvalue problems in d>1 dimension through variational principles.
Preview of coming weeks:
- Lec22, 04/16 (Tue: mini-lecture, 25mins): Variational principle
for Schrödinger's equation, analytic continuation for treatment
of constraints.
- Lab8, 04/16 (Tue): Solving Poisson's equation in d>1 dimensions.
- Lec23, 04/18 (Thu): DFT++ representation of Schrodinger's equation;
numerical minimization, steepest descents, line-minimization,
preconditioning.
Reading: NR 10.0,10.5 - Lec24, 04/23 (Tue: regular lecture only): Conjugate
gradients
Reading: NR 10.0,10.6 - Lec25, 04/25 (Thu: minilecture, 25mins): Kohn-Sham equations in
d>1 dimensions
- Lab9, 04/25 (Thu): Solution of Schrodinger's equation in d>1 dimensions
- Lec26, 04/30 (Tue): FFT
Reading: NR 12.0,12.1,12.2
Tomas Arias
Mon Apr 15 14:09:23 EDT 2002