Current and emerging research areas in electronic structure theory promise to greatly
extend the scope and quality of quantum chemical computations. Two particularly …

In wavelet based electronic structure calculations, introducing a new, finer resolution level is
usually an expensive task, this is why often a two-level approximation is used with very fine …

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 …

This thesis aims to be a contribution to numerical methods for ab initio molecular simulation,
and more specifically for electronic structure calculations by means of the …

While the formalism of multiresolution analysis, based on wavelets and adaptive integral
representations of operators, is actively progressing in electronic structure theory (mostly on …

Many physical phenomena in acoustics, optics and electromagnetic wave theory are
governed by the scalar wave equation. In the frequency-domain, the wave equation is the so …

Differential equations can be solved wavelet-based by representing the continuous
functions by their wavelet expansion coefficients and thus the corresponding differential …

In wavelet-based solution of eigenvalue-type differential equations, like the Schrödinger
equation, refinement in the resolution of the solution is a costly task, as the number of the …

Wavelets provide an effective toolbox for solving differential equations by representing the
continuous functions by their wavelet expansion coefficients and the corresponding …

This paper proposes a summary of a research activity devoted to the development of
computational tools useful for the numerical investigation of human exposure to …