We summarize the theoretical framework and some of the computational methods currently used for the calculation of the optical properties of surfaces within the "ab initio" scheme. Applications and examples are given for calculations including self-energy, excitonic, and local-field effects, with an emphasis on convergence problems and on the approximations related to the pseudopotential approach.

Theory for modeling the optical properties of surfaces / G. Onida, W. Schmidt, O. Pulci, M. Palummo, A. Marini, C. Hogan, R. Del Sole. - In: PHYSICA STATUS SOLIDI. A, APPLIED RESEARCH. - ISSN 0031-8965. - 188:4(2001 Dec), pp. 1233-1242.

Theory for modeling the optical properties of surfaces

G. Onida;
2001-12

Abstract

We summarize the theoretical framework and some of the computational methods currently used for the calculation of the optical properties of surfaces within the "ab initio" scheme. Applications and examples are given for calculations including self-energy, excitonic, and local-field effects, with an emphasis on convergence problems and on the approximations related to the pseudopotential approach.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/184648
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