Heinz-Jürgen Flad

Max Planck Institute for Mathematics in the Sciences, Leipzig

An alternative approach to electronic structure calculations based on numerical methods
from multiscale analysis, is suggested. We are aiming towards a local description of electron correlations
using a wavelet basis adapted to the various length and energy scales of the physical processes involved.
Taking a product ansatz for the wavefunction Y = *F* F,
where F corresponds to a given mean-field solution,
we approximate the correlation factor *F*
in terms of hyperbolic wavelets. Such kind of wavelets are adjusted to higher dimensional problems
and can be combined with adaptive nonlocal approximation schemes in the region of the inter-electron cusps.
Necessary extensions for large systems, with improved scaling behavior, are proposed.

File translated from T

On 27 Jan 2004, 16:52.