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 Tools annual

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 monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

We test the performance of self-consistent GW and several representativeimplementations of vertex corrected G0W0 (G0W0{\Gamma}). These approaches aretested on benchmark data sets covering full valence spectra (first ionizationpotentials and some inner valence shell excitations). For small molecules, whencomparing against state of the art wave function techniques, our results showthat performing full self-consistency in the GW scheme either systematicallyoutperforms vertex corrected G0W0 or gives results of at least the samequality. Moreover, the G0W0{\Gamma} results in additional computational costwhen compared to G0W0 or self-consistent GW and the G0W0{\Gamma} dependency onthe starting mean-filed solution is frequently larger than the magnitude of thevertex correction. Consequently, for molecular systems self-consistent GWperformed on imaginary axis and then followed by modern analytical continuationtechniques offers a more reliable approach to make predictions of IP spectra.

Comparing self-consistent GW and vertex corrected G0W0 (G0W0{\Gamma}) accuracy for molecular ionization potentials