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Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units.

Takeshi YoshikawaHiromi Nakai
Published in: J. Comput. Chem. (2015)
Keyphrases
  • pairwise
  • processing units
  • real world
  • general purpose
  • parallel algorithm
  • computing systems