Wavelets for Electronic Structure Calculations and Electrostatic Problems

Thursday, August 2, 2007 - 9:00am - 10:00am
EE/CS 3-180
Stefan Goedecker (Universität Basel)
Wavelets are a systematic localized basis set that is well suited for representing Kohn-Sham orbitals.
I will explain the algorithms that we are using in our new ABINIT wavelet program and show
perfomance results. In the second part I will show how scaling functions can be used to solve
electrostatic problems both for continuous and discrete charge distributions under various boundary conditions.