Combination of many-body and density-functional theories

Details Combination of many-body and density-functional theories Combination of many-body and density-functional theories

2011-06-14

arxiv.org/abs/1106.2744v1

Physics

Chemical Physics

Submitted in 2005 to Phys. Rev. A, and rejected

Scientific paper

A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation theory but with the reference one-body Hamiltonian modified by additional (generally non-local) potentials which are universal functionals of the Hartree-Fock density. The existence of such functionals that reproduce the exact correlation energy justifies the search for approximate models which may overcome some important deficiencies of the traditional density-functional methods and also perform better than the usual low-order wavefunction methods.

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