Home Page for Computational Physics 2001
(Cornell Phys 480, Phys 680 and Astro 690)

Course completion list

US National Institute of Standards and Technology project on the electronic structure of atoms
Numerical Recipes book on line!
Cut and paste versions of Numerical Recipes utilities and header file
On line version of "What Every Computer Scientist Should Know About Floating-Point Arithmetic", ACM Computing Surveys, Vol 23, No 1, March 1991.

Overview of quantum mechanics of material systems (density functional theory)
[ HTML, Postscript, PDF ]
Numerical Integration of functions
[HTML, Postscript, PDF ]

Animation of integration of the one-dimensional Schrodinger equation as a function of energy
[HTML/MPEG]
This movie is from a web based quantum mechanics course which has a variety of other interesting animations.

Problem Set # 1: Numerical integration --- potential energy terms in atoms
[HTML Postscript PDF ]
Problem Set # 2: Solution of ODE's --- Poisson's equation in atoms and a simple Schrondinger solver
[HTML Postscript PDF ]
Problem Set # 3: Root finding -- Automated, high precision Schrodinger solver for energies of atomic states
[HTML Postscript PDF ]
Problem Set # 4: Matching method; packaging -- Automated, high precision Schrodinger solver for wave functions of atoms; full set of routines needed for self-consistent atomic calculations
[HTML Postscript PDF ]
Problem Set # 5: Matching method; packaging -- Automated, high precision Schrodinger solver for wave functions of atoms; full set of routines needed for self-consistent atomic calculations
[HTML Postscript PDF ]
Problem Set # 6: Modified Broyden method; FLOP counting -- Optimization of atomic code
[HTML Postscript PDF ]
Problem Set # 7 (Due April 13. Also contains make up lecture schedule.): LAPACK; Fourier methods, expressive software and C++ -- solution of Poisson's equation in three dimensions
[HTML Postscript PDF ]
Source code for erf function (for windows).
Problem Set # 8 (Due April 20): Steepest descents, line-minimization, conjugate-gradients, preconditioning -- Solution of Schroginder's equation in three-dimensions
[HTML Postscript PDF ]
Problem Set # 9 (Due April 27): Computation of the bond-length of the hydrogen molecule, with your own code built from scratch!!! [HTML Postscript PDF ]