16 citations · 23 across the 5 of their papers we have counts for
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physics.comp-ph2019★ 2 cited
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…
physics.comp-ph2019
Multiple eigenvectors around the homo-lumo gap as a cheap by-product in linear scaling electronic structure calculations
Anastasia Kruchinina
In this work we present and evaluate an implementation of the purify-shift-and-project method [J. Chem. Phys. 128, 176101 (2008)] for linear scaling computation of multiple eigenve…