Linearly scaling 3D fragment method for large-scale electronic structure calculations.

Lin-Wang Wang Byounghak Lee Hongzhang Shan Zhengji Zhao Juan C. Meza Erich Strohmaier David H. Bailey Linearly scaling 3D fragment method for large-scale electronic structure calculations. 65 2008 SC http://doi.acm.org/10.1145/1413370.1413437 conf/sc/2008 db/conf/sc/sc2008.html#WangLSZMSB08