Computational Physics Home Page
(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.

Grader's Lab hours in Rockefeller B3: Tue 1:30-3:00, Wed 4:30-6:00 -- Get checked off!!!
Prof. Arias's office hours: Mon 3:00-4:15

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.

Assignment # 1: Numerical integration --- potential energy (for atoms)
[HTML Postscript PDF ]
Assignment # 2: ODE solvers --- Poisson's equation (for atoms)
[HTML Postscript PDF ]
Assignment # 3: Root finding/Eigenvalue solvers --- Schrodinger's equation (for atoms)
[HTML Postscript PDF ]
Assignment # 4: Finding brackets --- specified states of Schrodinger's equation
[HTML Postscript PDF ]
Assignment # 5: Interpolation --- full wave functions; packaging of complete set of subroutines for atomic calculations
[HTML Postscript PDF ]
Assignment # 6: Interpolation --- DFT calculations of atoms!
[HTML Postscript PDF ]
Assignment # 7: Solver for many non-linear equations (Broyden) --- Optimization of DFT calculations for atoms!
[HTML Postscript PDF ]
Assignment # 8: MFLOPS rates, homemade BLAS, calling LAPACK
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Assignment # 9: C++ objects and classes, Fourier methods --- Solution of Poisson's equation in three-dimensions
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Source code for erf function (for windows).
Assignment # 10: Steepest descents, line-minimization, conjugate-gradients, preconditioning ---- Solution of Schroginder's equation in three-dimensions
[HTML Postscript PDF ]
Assignment # 11: Solution of Kohn-Sham Equations ---- Ab initio calculation of bond length of the hydrogen molecule (H2) of Poisson's equation
[HTML Postscript PDF ]