2026-10-08T02:40:13Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33863725 2026-09-16T17:19:32Z category_30127 item_type_3 month_year_09_2026

Rovibrationally-resolved photoabsorption cross-sections for the Oxygen (¹⁶O₂) Schumann–Runge system Prabhav Agrawala (24998380) Jerry Seitzman (24998426) Nonlinear optics and spectroscopy Schumann-Runge Continuum Oxygen absorption cross-section molecular oxygen rovibrationally resolved Schumann-Runge photodissociation UV absorption spectroscopy <p dir="ltr">This dataset contains state-resolved photoabsorption cross-sections for molecular oxygen in the Schumann–Runge system (B³Σ⁻ᵤ ← X³Σ⁻₉), computed from ab initio potential energy and transition dipole moment curves using the Duo nuclear motion solver.</p><p dir="ltr">Cross-sections are resolved by rovibrational level of the lower state rather than presented as thermally averaged bulk values, which allows the data to be re-binned to arbitrary rotational and vibrational population distributions — including non-Boltzmann distributions typical of shock-heated, plasma-assisted, and nonequilibrium high-enthalpy flows.</p><p><br></p><p dir="ltr">Contents:</p><ul><li><code>[filename.duckdb]</code> — cross-sections on a [X]–[Y] nm grid at [Δλ] resolution, for [v″, J″ ranges]</li><li><code>[filename.py]</code> — ...</li><li><code>README.md</code> — ...</li></ul><p dir="ltr">Units: cross-sections in cm², wavelengths in nm (vacuum), energies in cm⁻¹</p><p dir="ltr">Method summary: [level of theory / basis set] electronic structure input; nuclear motion and intensity calculations performed in Duo [version]. [Continuum/predissociation broadening was treated by ...] Validation against [ ] is described in the associated publication.</p><p dir="ltr">These data support the analysis in: [citation]. Please cite both the publication and this dataset record.</p> 2026-09-16T17:19:32Z Dataset Dataset 10.6084/m9.figshare.33863725.v1 https://figshare.com/articles/dataset/Rovibrationally-resolved_photoabsorption_cross-sections_for_the_Oxygen_sup_16_sup_O_sub_2_sub_Schumann_Runge_system/33863725 CC BY 4.0 Open Access after 2026-11-16