[1]

Ronald F Boisvert, Ronald F Boisvert, and Karin A Remington. The matrix market exchange formats: Initial design. US Department of Commerce, National Institute of Standards and Technology, 1996.

[2]

Matt Challacombe. A simplified density matrix minimization for linear scaling self-consistent field theory. The Journal of chemical physics, 110(5):2332–2342, 1999.

[3]

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.

[4]

Branislav Jansík, Stinne Høst, Poul Jørgensen, Jeppe Olsen, and Trygve Helgaker. Linear-scaling symmetric square-root decomposition of the overlap matrix. The Journal of chemical physics, 126(12):124104, 2007.

[5]

WanZhen Liang, Chandra Saravanan, Yihan Shao, Roi Baer, Alexis T Bell, and Martin Head-Gordon. Improved fermi operator expansion methods for fast electronic structure calculations. The Journal of chemical physics, 119(8):4117–4125, 2003.

[6]

John M Millam and Gustavo E Scuseria. Linear scaling conjugate gradient density matrix search as an alternative to diagonalization for first principles electronic structure calculations. The Journal of chemical physics, 106(13):5569–5577, 1997.

[7]

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.

[8]

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

[9]

T Ozaki. Efficient recursion method for inverting an overlap matrix. Physical Review B, 64(19):195110, 2001.

[10]

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

[11]

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