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

Various explicitly correlated Gaussian (ECG) basis sets are considered forthe solution of the molecular Schr\"odinger equation with particular attentionto the simplest polyatomic system, H$_3^+$. Shortcomings and advantages arediscussed for plain ECGs, ECGs with the global vector representation, floatingECGs and their numerical projection, and ECGs with complex parameters. Thediscussion is accompanied with particle density plots to visualize theobservations. In order to be able to use large complex ECG basis sets inmolecular calculations, a numerically stable algorithm is developed, theefficiency of which is demonstrated for the lowest rotationally andvibrationally excited states of H$_2$ and H$_3^+$.

H$_3^+$ as a five-body problem described with explicitly correlated Gaussian basis sets