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Cornell University
Department of Physics
Phys 480/680, Astro 690 January 27, 2001
Computational Physics, Spring 2001
Problem Set # 1
(Due Friday, February 2 in Computer Lab.)
Agenda and readings for the week of February 1:
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 .
- Lec1 01/23 [1 1/2 hrs]: Course overview; Introduction to
density functional theory.
Reading: LN ``Overview of quantum mechanics ...'': 1-3. - Lec2, 01/25 [1 1/13 hrs]: General plan of attack for Scientific
Computing; Minimization of energy leanding to Kohn-Sham equations.
Reading: LN ``Overview of quantum mechanics ...'': 4.1-4.3,5. - Lec3, 01/26 [1 hr]: Overview of self-consistent solution of Kohn-Sham equations; Overview of numerical integration.
Reading: LN ``Overview of quantum mechanics ...'': 4.4; LN ``Numerical Integration ...'': 1-2.1; NR 4.0-4.1 - Lecs4-5, 01/29, 01/31 [1 hr @]: Numerical integration; Solution
of ODE's; Poisson's equation for atoms.
Reading: LN ``Numerical
Integration ...'': 2.2-4; NR 4.1-4.3, 16.0-16.1 - Lab1, 02/02: Discuss code organization and explore changes of
variables for atoms.
Tomas Arias
Sat Jan 27 11:22:12 EST 2001