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|Title:||Ab initio Wannier-function-based many-body approach to Born charges of crystalline insulators|
|Publisher:||AMERICAN PHYSICAL SOC|
|Citation:||PHYSICAL REVIEW B, 70(24), -|
|Abstract:||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.|
|Appears in Collections:||Article|
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