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Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energy.

José Luis Casals-SainzJosé Manuel Guevara-VelaEvelio FranciscoTomás Rocha-RinzaÁngel Martín Pendás
Published in: J. Comput. Chem. (2020)
Keyphrases
  • efficient implementation
  • energy consumption
  • energy minimization
  • hardware implementation
  • energy efficiency
  • energy saving
  • highly parallel
  • low energy
  • minimum energy
  • active set
  • total energy