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 Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

High-accuracy composite wavefunction methods like Weizmann-4 (W4) theory,high-accuracy extrapolated \textit{ab initio} thermochemistry (HEAT), andFeller-Peterson-Dixon (FPD) enable sub-kJ/mol accuracy in gas-phasethermochemical properties. Their biggest computational bottleneck is theevaluation of the valence post-CCSD(T) correction term. We demonstrate here,for the W4-17 thermochemistry benchmark and subsets thereof, that the lambdacoupled cluster expansion converges more rapidly and smoothly than the regularcoupled cluster series. By means of CCSDT(Q)$_\Lambda$ and CCSDTQ(5)$_\Lambda$,we can considerably (up to an order of magnitude) accelerate W4- and W4.3-typecalculations without loss in accuracy, leading to the W4neo and W4.3neocomputational thermochemistry protocols.

W4neo: leveraging $\Lambda$ coupled cluster as the `new engine option' for accurate computational thermochemistry approaches