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 ground X1{\Sigma}+ state potential energy curve (PEC) and dipole momentcurve (DMC) of CO molecule have been revisited within the framework of therelativistic coupled-cluster approach, which incorporates non-perturbativesingle, double, and triple cluster amplitudes (CCSDT) in conjunction with afinite-field methodology. The generalized relativistic pseudo-potential modelwas used for the effective introducing the relativity in all-electroncorrelation treatment and accounting the quantum-electrodynamics (QED)corrections within the model-QED-operator approach. The diagonalBorn-Oppenheimer correction to PEC has been evaluated using the CCSD approach.The sensitivity of resulting PEC and DMC to variations in basis set parametersand regular intramolecular perturbations were considered as well. The presentab initio results are in a reasonable agreement with their most accuratesemi-empirical counterparts.

The ground-state potential and dipole moment of carbon monoxide:  contributions from electronic correlation, relativistic effects, QED,  adiabatic, and non-adiabatic corrections