808 datasets found

Accurate rotation-vibration line lists for two molecules, NaCl and KCl, in their ground electronic states are presented. These line lists are suitable for temperatures relevant...

Accurate rotational-vibrational line lists for two isotopologues of PN in their ground electronic states are computed. The line lists are produced using an empirical potential...

Knowledge of the elemental abundances of symbiotic giants is essential to address the role of chemical composition in the evolution of symbiotic binaries, to map their parent...

We present new calculations of unified line profiles for hydrogen perturbed by collisions with protons. We report on new calculations of the potential energies and dipole...

Formamide (NH_2_CHO) has been proposed as a pre-biotic precursor with a key role in the emergence of life on Earth. While this molecule has been observed in space, most of its...

A full quantum study of non-radiative inelastic processes in lithium-helium ion-atom collisions is presented. The study uses the 13 lowest-lying electronic molecular states of...

Accurate line lists are calculated for aluminium monoxide covering the pure rotation, rotation-vibration and electronic (B-X blue-green and A-X infrared bands) spectrum. Line...

Accurate and complete rotational-vibrational and rotational-vibrational- electronic line lists are calculated for sodium hydride: both NaH and NaD isotopologue are considered....

Accurate and complete rotational-vibrational and rotational-vibrational- electronic line lists are calculated for sodium hydride: both NaH and NaD isotopologue are considered....

Nitric acid is a possible biomarker in the atmospheres of exoplanets. An accurate line lists is computed for nitric acid (HNO3). This line list covers wavelenghts longer than...

Stark broadening parameters have been calculated for 60 spectral lines of XeVIII, for broadening by electron, proton, and HeIII impacts. For calculations, the semiclassical...

Comprehensive vibration-rotation line lists for eight isotopologues of carbon mono- sulphide (CS) (^12^C^32^S, ^12^C^33^S, ^12^C^34^S, ^12^C^36^S, ^13^C^32^S, ^13^C^33^S,...

The mass sensitivity of the vibration-rotation-inversion transitions of H_3_^16^O^+^, H_3_^18^O^+^, and D_3_^16^O^+^ is investigated variationally using the nuclear motion...

An accurate line list for calcium oxide is presented covering transitions between all bound ro-vibronic levels from the five lowest electronic states. The ro-vibronic energies...

Sulphur dioxide is well-known in the atmospheres of planets and satellites, where its presence is often associated with volcanism, and in circumstellar envelopes of young and...

This work presents the AYT2 line list: a comprehensive list of 115 million ^1^H_2_^32^S vibration-rotation transitions computed using an empirically adjusted potential energy...

A computed line list for hydrogen peroxide, H_2_^16^O_2_, applicable to temperatures up to T=1250K is presented. A semi-empirical high accuracy potential energy surface is...

Wavefunctions were determined using the Multi-Configuration Dirac-Hartree-Fock (MCDHF) method. The core-core, core-valence, valence correlation, Breit interaction and quantum...

Sulphur trioxide (SO_3_) is a trace species in the atmospheres of the Earth and Venus, as well as being an industrial product and an environmental pollutant. A variational line...

An accurate line list, VOMYT, of spectroscopic transitions is presented for hot VO. The 13 lowest electronic states are considered. Curves and couplings are based on initial ab...