Recursive polynomial expansion for the matrix step function uses degree-eight components evaluated in three matrix multiplications to reduce overall multiplication count versus prior recursive methods.
Holas , Transforms for idempotency purification of density matrices in linear-scaling electronic-structure calculations , Chem
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Recursive expansion of the matrix step function using polynomials of degree eight
Recursive polynomial expansion for the matrix step function uses degree-eight components evaluated in three matrix multiplications to reduce overall multiplication count versus prior recursive methods.