English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

In principle, the Luttinger-Ward Green's function formalism allows one tocompute simultaneously the total energy and the quasiparticle band structure ofa many-body electronic system from first principles. We present approximate andexact expressions for the correlation energy within the GW-RPA approximationthat are more amenable to computation and allow for developing efficientapproximations to the self-energy operator and correlation energy. The exactform is a sum over differences between plasmon and interband energies. Theapproximate forms are based on summing over screened interband transitions. Wealso demonstrate that blind extremization of such functionals leads tounphysical results: imposing physical constraints on the allowed solutions(Green's functions) is necessary. Finally, we present some relevant numericalresults for atomic systems.

The correlation energy functional within the GW-RPA approximation: exact forms, approximate forms and challenges