[HTML][HTML] Frontiers in electronic structure theory
CD Sherrill - The Journal of chemical physics, 2010 - pubs.aip.org
Current and emerging research areas in electronic structure theory promise to greatly
extend the scope and quality of quantum chemical computations. Two particularly …
extend the scope and quality of quantum chemical computations. Two particularly …
An economic prediction of the finer resolution level wavelet coefficients in electronic structure calculations
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 …
usually an expensive task, this is why often a two-level approximation is used with very fine …
An economic prediction of refinement coefficients in wavelet‐based adaptive methods for electron structure calculations
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 …
details, which allows to reduce the number of fine detail wavelets in multiresolution analysis …
Galerkin method using optimized wavelet-Gaussian mixed bases for electronic structure calculations in quantum chemistry
DH Pham - 2017 - theses.hal.science
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 …
and more specifically for electronic structure calculations by means of the …
Scale‐adaptive tensor algebra for local many‐body methods of electronic structure theory
DI Lyakh - International Journal of Quantum Chemistry, 2014 - Wiley Online Library
While the formalism of multiresolution analysis, based on wavelets and adaptive integral
representations of operators, is actively progressing in electronic structure theory (mostly on …
representations of operators, is actively progressing in electronic structure theory (mostly on …
[PDF][PDF] Calculation of the numerical solution of two-dimensional Helmholtz equation
G Hegedűs, M Kuczmann - Acta Technica Jaurinensis, 2010 - acta.sze.hu
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 …
governed by the scalar wave equation. In the frequency-domain, the wave equation is the so …
On wavelet based modeling of the nitrogen oxides emission and concentration due to road traffic in urban environment
S Nagy - Acta Technica Jaurinensis, 2015 - acta.sze.hu
Differential equations can be solved wavelet-based by representing the continuous
functions by their wavelet expansion coefficients and thus the corresponding differential …
functions by their wavelet expansion coefficients and thus the corresponding differential …
[HTML][HTML] Optimization of the prediction of second refined wavelet coefficients in electron structure calculations
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 …
equation, refinement in the resolution of the solution is a costly task, as the number of the …
Error estimation of wavelet based modeling of electromagnetic waves in waveguides and resonators
Wavelets provide an effective toolbox for solving differential equations by representing the
continuous functions by their wavelet expansion coefficients and the corresponding …
continuous functions by their wavelet expansion coefficients and the corresponding …
On the use of the boundary element method for electromagnetic numerical dosimetry
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 …
computational tools useful for the numerical investigation of human exposure to …