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Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory.

Michael SeidlSara GiarrussoStefan VuckovicEduardo FabianoPaola Gori-Giorgi
Published in: The Journal of chemical physics (2019)
We show that the leading term in the strong-interaction limit of the adiabatic connection that has as weak-interaction expansion the Møller-Plesset perturbation theory can be fully determined from a functional of the Hartree-Fock density. We analyze this functional and highlight similarities and differences with the strong-interaction limit of the density-fixed adiabatic connection case of Kohn-Sham density functional theory.
Keyphrases
  • density functional theory
  • molecular dynamics
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  • clinical trial