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

Ab initio calculation of dielectric response with high-accuracy electronicstructure methods is a long-standing problem, for which mean-field approachesare widely used and electron correlations are mostly treated via approximatedfunctionals. Here we employ a neural network wavefunction ansatz combined withquantum Monte Carlo to incorporate correlations into polarization calculations.On a variety of systems, including isolated atoms, one-dimensional chains,two-dimensional slabs, and three-dimensional cubes, the calculated resultsoutperform conventional density functional theory and are consistent with themost accurate calculations and experimental data. Furthermore, we have studiedthe out-of-plane dielectric constant of bilayer graphene using our method andre-established its thickness dependence. Overall, this approach provides apowerful tool to consider electron correlation in the modern theory ofpolarization.

Electric Polarization from Many-Body Neural Network Ansatz