Wavelets for density matrix computation in electronic structure calculation
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This paper is concerned with demanding calculations of electronic structures. The aim of this paper is to give a brief introduction into electronic structure calculations and linear scaling methods. In particular, the authors address the linear scaling wavelet methods and summarize the recent approximation results obtained by the first author and his collaborators.
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Cited in
(24)- Fast spectral projection algorithms for density-matrix computations
- Wavelets for electronic structure calculations
- Electronic structure calculations using self-adaptive multiscale Voronoi basis functions
- Density matrices in \(O(N)\) electronic structure calculations: theory and applications
- Wavelet approach to quasi two-dimensional extended many-particle systems. I: Supercell Hartree-Fock method
- Low complexity algorithms for electronic structure calculations
- Mesh-free canonical tensor products for six-dimensional density matrix: computation of kinetic energy
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- Integration of products of Gaussians and wavelets with applications to electronic structure calculations
- FIRST PRINCIPLE CALCULATION WITH INTERPOLATING SCALING FUNCTION ON ADAPTIVE GRIDDING
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- Decay properties of spectral projectors with applications to electronic structure
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- Fast algorithm for periodic density fitting for Bloch waves
- Construction of quasi-localized dual bases in reproducing kernel Hilbert spaces
- Density matrix minimization with \({\ell}_1\) regularization
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