title: An economic prediction of refinement coefficients in wavelet-based adaptive methods for electron structure calculations.
abstract: The wave function of a many electron system contains inhomogeneously distributed spatial details, which allows to reduce the number of fine detail wavelets in multiresolution analysis approximations. Finding a method for decimating the unnecessary basis functions plays an essential role in avoiding an exponential increase of computational demand in wavelet-based calculations. We describe an effective prediction algorithm for the next resolution level wavelet coefficients, based on the approximate wave function expanded up to a given level. The prediction results in a reasonable approximation of the wave function and allows to sort out the unnecessary wavelets with a great reliability.
authors.affiliation: Department of Theoretical Physics, Institute of Physics, Budapest University of Technology and Economics, H-1521 Budapest, Hungary. pipek@phy.bme.hu
authors.forename: János
authors.initials: J
authors.lastname: Pipek
authors.forename: Szilvia
authors.initials: S
authors.lastname: Nagy
mesh_terms: D000465:Algorithms; D004583:Electrons; D015394:Molecular Structure; D011789:Quantum Theory