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

The atomic cluster expansion (ACE) (Drautz, 2019) yields a highly efficientand intepretable parameterisation of symmetric polynomials that has achievedgreat success in modelling properties of many-particle systems. In the presentwork we extend the practical applicability of the ACE framework to thecomputation of many-electron wave functions. To that end, we develop acustomized variational Monte-Carlo algorithm that exploits the sparsity andhierarchical properties of ACE wave functions. We demonstrate the feasibilityon a range of proof-of-concept applications to one-dimensional systems.

A Multilevel Method for Many-Electron Schr\"{o}dinger Equations Based on the Atomic Cluster Expansion