In this paper we present an approach aimed at performing many-body calculations of Born-effective charges of crystalline insulators by including the electron-correlation effects. The scheme is implemented entirely in the real space, using Wannier functions as single-particle orbitals. Correlation effects are computed by including virtual excitations from the Hartree-Fock mean field, and the excitations are organized as per a Bethe–Goldstone-like many-body hierarchy. The results of our calculations suggest that the approach presented here is promising.

• Received 30 June 2004

DOI:https://doi.org/10.1103/PhysRevB.70.241103