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A density-fitting implementation of the density-based basis-set correction method.

Andreas HeßelmannEmmanuel GinerPeter ReinhardtPeter J. KnowlesHans-Joachim WernerJulien Toulouse
Published in: J. Comput. Chem. (2024)
Keyphrases
  • artificial intelligence
  • data sets
  • real time
  • genetic algorithm
  • clustering algorithm
  • search algorithm
  • probability distribution
  • least squares
  • clustering method
  • hierarchical structure