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

Second order M{\o}ller-Plesset perturbation theory (MP2) approximates theexact Hartree-Fock (HF) adiabatic connection (AC) curve by a straight line.Thus by using the deviation of the exact curve from the linear behaviour, weconstruct an indicator for the accuracy of MP2. We then use an interpolationalong the HF AC to transform the exact form of our indicator into a highlypractical MP2 accuracy predictor (MAP) that comes at negligible additionalcomputational cost. We show that this indicator is already applicable tosystems that dissociate into fragments with a non-degenerate ground state, andwe illustrate its usefulness by applying it to the S22 and S66 datasets.

MAP: an MP2 accuracy predictor for weak interactions from adiabatic connection theory