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Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding.

Johannes HeuserSebastian Höfener
Published in: J. Comput. Chem. (2017)
Keyphrases
  • state space
  • np hard
  • database
  • data sets
  • website
  • objective function
  • vector space
  • error bounds