5 citations · 7 across the 3 of their papers we have counts for
3 papers
The Chunks and Tasks Matrix Library 2.0
Emanuel H. Rubensson, Elias Rudberg, Anastasia Kruchinina +1
We present a C++ header-only parallel sparse matrix library, based on sparse quadtree representation of matrices using the Chunks and Tasks programming model. The library implement…
Efficient computation of the density matrix with error control on distributed computer systems
Anastasia Kruchinina, Elias Rudberg, Emanuel H. Rubensson
The recursive polynomial expansion for construction of a density matrix approximation with rigorous error control [J. Chem. Phys. 128, 074106 (2008)] is implemented in the quantum…
On-the-fly computation of frontal orbitals in density matrix expansions
Anastasia Kruchinina, Elias Rudberg, Emanuel H. Rubensson
Linear scaling density matrix methods typically do not provide individual eigenvectors and eigenvalues of the Fock/Kohn-Sham matrix, so additional work has to be performed if they…