Search Results - "iterative Davidson algorithm"

Solving large nonlinear generalized eigenvalue problems from Density Functional Theory calculations in parallel: Solving large nonlinear generalized eigenvalue problems from density functional theory calculations in parallel

Authors: Claus Bendtsen Lars Bruno Hansen O. H. Nielsen

Source: Applied Numerical Mathematics. 37:189-199

Subject Terms: Numerical methods for eigenvalue problems for boundary value problems involving PDEs, self-consistent field, Condensed Matter - Materials Science, eigensolution, Completeness of eigenfunctions and eigenfunction expansions in context of PDEs, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Parallel numerical computation, 01 natural sciences, Atomic physics, Numerical solution of nonlinear eigenvalue and eigenvector problems, iterative Davidson algorithm, large eigenvalue problems, quantum mechanical ground state of electrons, nonlinear matrix eigenproblem, 0101 mathematics, parallel computation, density functional theory, PDEs in connection with quantum mechanics

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Access URL: http://arxiv.org/pdf/cond-mat/0011107
http://arxiv.org/abs/cond-mat/0011107
https://www.sciencedirect.com/science/article/abs/pii/S0168927400000386#!
https://orbit.dtu.dk/en/publications/solving-large-nonlinear-generalized-eigenvalue-problems-from-density-functional-theory-calculations-in-parallel(415e2d0c-e471-4d24-aaf0-089e6598b558).html
https://www.sciencedirect.com/science/article/pii/S0168927400000386