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Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program.

Danny SchlünsMirko FranchiniAndreas W. GötzJohannes NeugebauerChristoph R. JacobLucas Visscher
Published in: J. Comput. Chem. (2017)
Keyphrases
  • neural network
  • functional analysis
  • genetic algorithm
  • learning algorithm
  • computer vision
  • decision trees
  • high level
  • computational model
  • cultural heritage
  • density function