@article{382, keywords = {paper}, author = {G Onida and Rodolfo Del Sole and Maurizia Palummo and Olivia Pulci and Lucia Reining}, title = {Ab-initio calculation of the optical properties of surfaces}, abstract = {The recent development of computational methods using very large plane-wave basis sets, together with the large increase in computer performance, have now made it possible to compute the optical properties of real surfaces within a parameter-free approach. In this work, we describe a scheme for such a calculation, based on the state-of-the-art techniques for the computation of the ground and excited electronic states. We outline the advantages and the drawbacks related to the introduction of various approximation schemes, as well as the role of the most important convergence parameters. We present examples and applications to GaAs(110) and Si(100) surfaces, comparing the results with those of previous calculations, both semi-empirical and ab-initio, and with experimental data.}, year = {1998}, journal = {Phys. Stat. Sol. A}, volume = {170}, number = {2}, pages = {365-375}, month = {DEC 16}, publisher = {Ettore Majorana Fdn; Ctr Sci Culture}, address = {MUHLENSTRASSE 33-34, D-13187 BERLIN, GERMANY}, note = {5th Epioptics Workshop, ERICE, ITALY, JUN 17-22, 1998}, }