Sparse approximate matrix-matrix multiplication for density matrix purification with error control

Artemov, AG; Rubensson, EH

Rubensson, EH (corresponding author), Uppsala Univ, Dept Informat Technol, Div Sci Comp, SE-75105 Uppsala, Sweden.

JOURNAL OF COMPUTATIONAL PHYSICS, 2021; 438 ():

Abstract

We propose an accelerated density matrix purification scheme with error control. The method makes use of the scale-and-fold acceleration technique and......

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