Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.

Chandra Saravanan Yihan Shao Roi Baer Philip N. Ross Martin Head-Gordon Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks. 618-622 2003 24 Journal of Computational Chemistry 5 http://dx.doi.org/10.1002/jcc.10224 db/journals/jcc/jcc24.html#SaravananSBRH03