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 investigate the characteristic effects of nuclear motion on attosecondtransient absorption spectra in molecules by calculating the spectrum fordifferent model systems. Two models of the hydrogen molecular ion areconsidered: one where the internuclear separation is fixed, and one where thenuclei are free to vibrate. The spectra for the fixed nuclei model are similarto atomic spectra reported elsewhere, while the spectra obtained in the modelincluding nuclear motion are very different and dominated by extremely broadabsorption features. These broad absorption features are analyzed and theirrelation to molecular dissociation investigated. The study of the hydrogenmolecular ion validates an approach based on the Born-Oppenheimer approximationand a finite electronic basis. This latter approach is then used to study thethree-dimensional hydrogen molecule including nuclear vibration. The spectrumobtained from H$_2$ is compared to the result of a fixed-nuclei calculation. Inthe attosecond transient absorption spectra of H$_2$ including nuclear motionwe find a rich absorption structure corresponding to population of differentvibrational states in the molecule, while the fixed-nuclei spectra again arevery similar to atomic spectra. We find that light-induced structures atwell-defined energies reported in atomic systems are also present in our fixednuclei molecular spectra, but suppressed in the ${\text{H}_2}^+$ and H$_2$spectra with moving nuclei. We show that the signatures of light-inducedstructures are closely related to the nuclear dynamics of the system throughthe shapes and relative arrangement of the Born-Oppenheimer potential energycurves.

Nuclear-Motion Effects in Attosecond Transient Absorption Spectroscopy of Molecules