Low complexity algorithms for electronic structure calculations

DOI10.1006/jcph.1995.1097zbMath0827.65082OpenAlexW2068725607MaRDI QIDQ1891099

Stefan Goedecker

Publication date: 28 May 1995

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1995.1097

zbMATH Keywords

Hamiltoniandensity matrixeigenfunction expansiondirect methodselectronic structure calculationslocalized orbitalslow complexity algorithms

Mathematics Subject Classification ID

Electromagnetic interaction; quantum electrodynamics (81V10) Eigenfunctions, eigenfunction expansions, completeness of eigenfunctions of ordinary differential operators (34L10) Numerical solution of eigenvalue problems involving ordinary differential equations (65L15)

Related Items (5)

Numerical operational calculus for matrices with applications to mechanical and mathematical problems ⋮ A Fast Hierarchically Preconditioned Eigensolver Based on Multiresolution Matrix Decomposition ⋮ Preconditioning Orbital Minimization Method for Planewave Discretization ⋮ Projection Method for Eigenvalue Problems of Linear Nonsquare Matrix Pencils ⋮ Computing Eigenvalues of Real Symmetric Matrices with Rational Filters in Real Arithmetic

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