NTPoly
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Bibliography
[1]

Thomas E Exner and Paul G Mezey. Comparison of nonlinear transformation methods for electron density approximation. The Journal of Physical Chemistry A, 106(22):5504–5509, 2002.

[2]

Anders MN Niklasson, Matt Challacombe, CJ Tymczak, and Károly Németh. Trace correcting density matrix extrapolation in self-consistent geometry optimization. The Journal of chemical physics, 132(12):124104, 2010.

[3]

Anders MN Niklasson. Expansion algorithm for the density matrix. Physical Review B, 66(15):155115, 2002.

[4]

Adam HR Palser and David E Manolopoulos. Canonical purification of the density matrix in electronic-structure theory. Physical Review B, 58(19):12704, 1998.

[5]

Emanuel H Rubensson. Nonmonotonic recursive polynomial expansions for linear scaling calculation of the density matrix. Journal of chemical theory and computation, 7(5):1233–1236, 2011.

[6]

Lionel A Truflandier, Rivo M Dianzinga, and David R Bowler. Communication: Generalized canonical purification for density matrix minimization, 2016.