Wavelets as basis functions for electronic structure calculations and their implementation in the ABINIT code

17 March 2008 (Mon), 10:30 am - 12:00 am

8F larger seminar room, Sengen site

Professor Stefan Goedecker

Department of Physics and Astronomy, University of Basel

Wavelets as basis functions for electronic structure calculations and their implementation in the ABINIT code

Wavelets are a relatively new class of mathematical functions and I will describe how they can be used as a basis set in density functional electronic structure calculations. Wavelets offer many advantages since they are adaptive, orthogonal and localized both in real and Fourier space. I will present performance comparisons with plane wave codes and some applications.

Dr. Yoshitaka Tateyama(館山佳尚)