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Linear scaling electronic structure methods in chemistry and physics

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2 Author(s)
Goedecker, S. ; CEA, Grenoble, France ; Scuserza, G.E.

Calculating the electronic structure of large atomistic systems requires algorithms that scale linearly with system size. Efficient implementations of these emerging algorithms provide scientists in various fields with powerful software tools to address challenging problems.

Published in:

Computing in Science & Engineering  (Volume:5 ,  Issue: 4 )