Type:
Journal
Description:
The diagram on the front cover illustrates the calculation of the self‐energy in Hedin's GW approximation using a basis of dominant products. Such a basis is useful in conjunction with the LCAO ansatz for molecular orbitals. It notably simplifies the calculation of properties of excited states in TDDFT (time‐dependent density functional theory), GW and presumably also in BSE (Bethe–Salpeter equation approach). For example, the fourcenter Coulomb integrals do not arise in this formalism. The Feature Article by Koval, Foerster and Coulaud (pp. 1841–1848) demonstrates the usage of the dominant product basis in TDDFT done with the full Kohn–Sham response matrix.
Publisher:
WILEY‐VCH Verlag
Publication date:
1 Aug 2010
Biblio References:
Volume: 247 Issue: 8
Origin:
physica status solidi (b)