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Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics Simulations
Negre, Christian F. A., Mniszewski, Susan M., Cawkwell, Marc J., Bock, Nicolas, Wall, Michael E., Niklasson, Anders M. N.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00154
Date:
June, 2016
File:
PDF, 2.03 MB
english, 2016