A method to accelerate convergence of Hartree–Fock calculations Academic Article uri icon

  •  
  • Overview
  •  
  • Research
  •  
  • Identity
  •  
  • Additional Document Info
  •  
  • View All
  •  

abstract

  • An extrapolation procedure has been devised which secures convergence of static Hartree–Fock calculations in about a third fewer iterations than the standard methods.

publication date

  • February 1, 1981