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

We consider collisional properties of polyatomic aromatic hydrocarbonmolecules immersed into ultracold atomic gases and investigate intermolecularinteractions of exemplary benzene, naphthalene, and azulene with alkali-metal(Li, Na, K, Rb, Cs) and alkaline-earth-metal (Mg, Ca, Sr, Ba) atoms. We applythe state-of-the-art \textit{ab initio} techniques to compute the potentialenergy surfaces (PESs). We use the coupled cluster method restricted to single,double, and noniterative triple excitations to reproduce the correlation energyand the small-core energy-consistent pseudopotentials to model the scalarrelativistic effects in heavier metal atoms. We also report the leadinglong-range isotropic and anisotropic dispersion and induction interactioncoefficients. The PESs are characterized in detail and the nature ofintermolecular interactions is analyzed and benchmarked using symmetry-adaptedperturbation theory. The full three-dimensional PESs are provided for selectedsystems within the atom-bond pairwise additive representation and can beemployed in scattering calculations. Presented study of the electronicstructure is the first step towards the evaluation of prospects for sympatheticcooling of polyatomic aromatic molecules with ultracold atoms. We suggestazulene, an isomer of naphthalene which possesses a significant permanentelectric dipole moment and optical transitions in the visible range, as apromising candidate for electric field manipulation and buffer-gas orsympathetic cooling.

Interactions of benzene, naphthalene, and azulene with alkali-metal and alkaline-earth-metal atoms for ultracold studies