Efficient Parallel Linear Scaling Construction of the Density Matrix for Born–Oppenheimer Molecular Dynamics
Susan M. Mniszewski(Los Alamos National Laboratory), Anders M. N. Niklasson(Uppsala University), M. J. Cawkwell(Los Alamos National Laboratory), Timothy C. Germann(Los Alamos National Laboratory), Jamaludin Mohd-Yusof(Los Alamos National Laboratory), Nicolas Bock, Michael E. Wall(Los Alamos National Laboratory)
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