Extended Hartree-Fock method based on pair density functional theory

  title={Extended Hartree-Fock method based on pair density functional theory},
  author={Bal{\'a}zs Het́enyi and Andreas W. Hauser},
  journal={Physical Review B},
A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density Matrices and Density Functionals}, Ed. R. Erdahl and V. H. Smith Jr., D. Reidel, (1987)]. The implementation of the method consists of solving Hartree-Fock equations and using the resulting orbitals to calculate two-body corrections to account for correlation… 

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