Post date: May 15, 2012 8:03:42 AM
"Ab initio complex band structure of conjugated polymers: Effect of hybrid DFT and GW schemes," by A. Ferretti, G. Mallia, L. Martin-Samos, G. Bussi, A. Ruini, B. Montanari, and N. M. Harrison, has been accepted for publication on Phys. Rev. B. In this paper, we present the calculation of the complex band structure for organic polymers using a variety of computational schemes, including standard local, semilocal, and hybrid-exchange density functionals, and many-body perturbation theory within the GW approximation. Preprint on arXiv.