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 time-dependent density-functional theory, a family of exchange-correlationkernels, known as long-range-corrected (LRC) kernels, have shown promise in thecalculation of excitonic effects in solids. We perform a systematic assessmentof existing static LRC kernels (empirical LRC, Bootstrap, andjellium-with-a-gap model) for a range of semiconductors and insulators,focusing on optical spectra and exciton binding energies. We find that no LRCkernel is capable of simultaneously producing good optical spectra andquantitatively accurate exciton binding energies for both semiconductors andinsulators. We propose a simple and universal, empirically scaled Bootstrapkernel which yields accurate exciton binding energies for all materials underconsideration, with low computational cost.

physical review. b./physical review. b

Assessment of long-range-corrected exchange-correlation kernels for  solids: accurate exciton binding energies via an empirically scaled Bootstrap  kernel