Search results for "Orthogonal diagonalization"

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Diagonalization of large matrices: a new parallel algorithm.

2015

On the basis of a dressed matrices formalism, a new algorithm has been devised for obtaining the lowest eigenvalue and the corresponding eigenvector of large real symmetric matrices. Given an N × N matrix, the proposed algorithm consists in the diagonalization of (N - 1)2 × 2 dressed matrices. Both sequential and parallel versions of the proposed algorithm have been implemented. Tests have been performed on a Hilbert matrix, and the results show that this algorithm is up 340 times faster than the corresponding LAPACK routine for N = 10(4) and about 10% faster than the Davidson method. The parallel MPI version has been tested using up to 512 nodes. The speed-up for a N = 10(6) matrix is fair…

Mathematical analysisParallel algorithmHilbert matrixComputer Science ApplicationsOrthogonal diagonalizationsymbols.namesakeMatrix (mathematics)symbolsSymmetric matrixPhysical and Theoretical ChemistryGround stateWave functionEigenvalues and eigenvectorsMathematicsJournal of chemical theory and computation
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