Polarization propagator for x-ray spectra
2006 (English)In: Physical Review Letters, ISSN 1050-2947 (print), 1094-1622 (online), Vol. 97, no 14, 143001- p.Article in journal (Refereed) Published
A polarization propagator for x-ray spectra is outlined and implemented in density functional theory. It rests on a formulation of a resonant-convergent first-order polarization propagator approach which makes it possible to directly calculate the x-ray absorption cross section at a particular frequency without explicitly addressing the excited states. The quality of the predicted x-ray spectrum relates only to the type of density functional applied without any separate treatment of dynamical relaxation effects.
Place, publisher, year, edition, pages
2006. Vol. 97, no 14, 143001- p.
IdentifiersURN: urn:nbn:se:liu:diva-12692DOI: 10.1103/PhysRevLett.97.143001OAI: oai:DiVA.org:liu-12692DiVA: diva2:16866