The correlation energy of an inhomogeneous electron gas is ruled by the density correlation function
L. It obeys a Bethe-Salpeter equation (BSE), whose kernel is the functional derivative of the particle self-energy. It is solved on equal footing for two-particle and single-particle Green's functions within Hedin's GW approximation. According to the Hartree and exchange-correlation contributions to the kernel, the correlation expression decays into random-phase-approximation (RPA) -like and screened-exchange-like parts. The actual treatment of the screened potential
W in the BSE for
L leads to different second-order screened exchange corrections (SOSEX). Including correlation in the kernel even yields approximations beyond SOSEX. The progress beyond RPA is illustrated for spinless and spin-polarized homogeneous electron gases, indicating that the screening treatment is substantial.
Within many-body perturbation theory (MBPT) of the spin-unpolarized jellium the second order exchange-term is explicitly renormalized using the Random Phase Approximation (RPA). Regarding total energies this has been studied under the name Second Order Screened Exchange (SOSEX). We study the pair correlation function (PCF) and the structure factor for parallel spins to investigate to what extend the exchange terms correct for violations of the Pauli principle introduced by the RPA. The PCF is directly evaluated for the thermodynamic limit by means of a Monte-Carlo integration of the imaginary frequency propagators of the homogeneous electron gas.
With the aim of constructing an electronic structure approach that systematically goes beyond the GW and random phase approximation (RPA) we introduce a vertex correction based on the exact-exchange (EXX) potential of time-dependent density functional theory. The EXX vertex function is constrained to be local but is expected to capture similar physics as the Hartree-Fock vertex. With the EXX vertex, we then unify different beyond-RPA approaches such as the various resummations of RPA with exchange and the second-order screened exchange approximation. The theoretical analysis is supported by numerical studies on the hydrogen dimer and the electron gas, and we discuss the role of including the vertex correction in both the screened interaction and the self-energy. Finally, we give details on our implementation within the plane-wave pseudo potential framework and demonstrate the excellent performance of the different RPA with exchange methods in describing the energetics of hydrogen and van der Waals bonds.