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Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems.

Clovis DarriganMichel RératGiuseppe MalliaRoberto Dovesi
Published in: J. Comput. Chem. (2003)
Keyphrases
  • perturbation method
  • management system
  • multiscale
  • complex systems
  • image enhancement