Parallel sparse matrix multiplication for linear scaling electronic structure calculations

DOI10.1016/S0010-4655(01)00164-3zbMath0984.65039arXivcond-mat/0011279OpenAlexW3102666199MaRDI QIDQ5944577

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Publication date: 14 May 2002

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/cond-mat/0011279

zbMATH Keywords

matrix productnumerical testsparallel computerselectronic structure calculationslinear-scaling techniquesmultiplication of sparse matrices

Mathematics Subject Classification ID

Related Items (4)

Sparse approximate matrix-matrix multiplication for density matrix purification with error control ⋮ Solvers for $\mathcal{O} (N)$ Electronic Structure in the Strong Scaling Limit ⋮ Decay Bounds for Functions of Hermitian Matrices with Banded or Kronecker Structure ⋮ Massively parallel sparse matrix function calculations with NTPoly

Cites Work

• A general parallel sparse-blocked matrix multiply for linear scaling SCF theory
• Density matrices in \(O(N)\) electronic structure calculations: theory and applications
• Unnamed Item

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