Self-consistent Hartree-Fock approximation for non-equilibrium electron transport through nanostructures

We present the formulation of self-consistent Hartree-Fock theory for non-equilibrium electron transport in nanostructures. The derivations are performed by our method for direct calculations of asymptotic, non-equilibrium steady state averages. We use asymptotic single-particle density matrix to approximate the molecular Hamiltonian by its Hartree-Fock form. Then we obtain the close system of coupled nonlinear integral equations for the transformation matrix, which diagonalizes the Hartree-Fock Hamiltonian, and asymptotic single particle density matrix.