Efficient parallel linear scaling construction of the...

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Journal of Chemical Theory and Computation 2015 / 09

Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics

Mniszewski, Susan M., Cawkwell, Marc J., Wall, Michael E., Mohd-Yusof, Jamaludin, Bock, Nicolas, Germann, Timothy C., Niklasson, Anders M.N.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00552
Date:
September, 2015
File:
PDF, 1.65 MB
english, 2015
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