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Accelerated Block Preconditioned Gradient method for large scale wave functions calculations in Density Functional Theory.

Jean-Luc Fattebert
Published in: J. Comput. Phys. (2010)
Keyphrases
  • gradient method
  • convergence rate
  • optimization methods
  • step size
  • neural network
  • negative matrix factorization
  • convex formulation
  • information retrieval
  • image processing
  • feature extraction