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Many‐body perturbation theory combined with time dependent DFT: A new method for the calculation of the dielectric function of solids
Author(s) -
Del Sole Rodolfo,
Pulci Olivia,
Olevano Valerio,
Marini Andrea
Publication year - 2005
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200541153
Subject(s) - polarizability , time dependent density functional theory , density functional theory , perturbation theory (quantum mechanics) , simplicity , dielectric function , function (biology) , computational chemistry , dielectric , statistical physics , physics , computational physics , quantum mechanics , chemistry , molecule , evolutionary biology , biology
We show an approximate method to calculate the polarizability of a many‐electron system within Green's function theory in a similar way as within time‐dependent density functional theory (TDDFT). The basic idea is to join the computational simplicity of the latter with the accuracy of the former. We apply this approach to a prototype system, LiF. For comparison, we also show results obtained within other approximated TDDFT‐based methods. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)