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A new nonempirical tuning scheme with single self-consistent field calculation: Comparison with global and IP-tuned range-separated functional.

Manash Protim BorpuzariRahul Kar
Published in: J. Comput. Chem. (2017)
Keyphrases
  • wide range
  • classification scheme
  • globally consistent
  • genetic algorithm
  • learning algorithm
  • range data
  • global information