Related papers: ExoMol line lists VIII: A variationally computed l…
We present the ExoAtom database, www.exomol.com/exoatom, an extension of the ExoMol database to provide atomic line lists in the ExoMol format. ExoAtom is designed for detailed astrophysical, planetary, and laboratory applications. ExoAtom…
Among the numerous molecular systems found in the interstellar medium (ISM), vinyl cyanide is the first identified olephinic nitrile. While it has been observed in various sources, its detection in Sgr B2 is notable as the 2$_{11}$-2$_{12}$…
We present a grid of forward model transmission spectra, adopting an isothermal temperature-pressure profile, alongside corresponding equilibrium chemical abundances for 117 observationally significant hot exoplanets (Equilibrium…
We have completed measurements of two low-lying excited-state electric-dipole (E1) transition amplitudes in lead. Our measured reduced matrix elements of the $(6s^2 6p^2)^3P_1 \to (6s^2 6p7s)^3P_0$ transition at 368.3 nm and the 405.8 nm…
We present an extended ultraviolet-blue (850-4700 AA) library of theoretical stellar spectral energy distributions (SEDs) computed at high resolution, R= 50,000. The UVBLUE grid, as we named the library, is based on LTE calculations carried…
Rotation-vibration energy levels are determined for the electronic ground state of the acetylene molecule, $^{12}$C$_2$H$_2$, using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. 37,813 measured transitions…
The thermodynamic properties of the pyrochlore Yb2Ti2O7 material are calculated using the numericallinked-cluster (NLC) calculation method for an effective anisotropic-exchange spin-1/2 Hamiltonian with parameters recently determined by…
We present preliminary results of an extensive research project aimed at describing the physical and chemical conditions of hot molecular cores (HMCs). Using millimeter continuum and spectroscopic data extracted from the Atacama Large…
We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite…
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of…
We describe a theoretical and computational approach to calculate the vibrational, elastic, and thermal properties of materials from the low-temperature quantum regime to the high-temperature anharmonic regime. This approach is based on…
3-Hydroxypropenal (HOCHCHCHO) is the lower energy tautomer of malonaldehyde which displays a complex rotation-tunneling spectrum. It was detected tentatively toward the solar-type protostar IRAS 16293$-$2422 B with ALMA in the framework of…
The nature of in-plane resistive transition of high-quality c-axis oriented crystalline thin films of YBa2Cu3O7-delta have been studied under magnetic fields (H) applied along the c-direction over a wide range of doped holes, p, in the CuO2…
Photon Dominated Regions (PDRs) are interfaces between the mainly ionized and mainly molecular material around young massive stars. Analysis of the physical and chemical structure of such regions traces the impact of far-ultraviolet…
All vibrational energies of the (trans-, cis-, delocalized-) formic acid molecule are converged up to 4500 cm$^{-1}$ beyond the zero-point vibrational energy with the GENIUSH-Smolyak variational approach and using an ab initio potential…
Experiments of isochoric heating by protons of solid material were recently performed at LULI laser facilities. In these experiments, protons, produced from target normal sheath acceleration (TNSA) of Au foil with the PICO2000 laser,…
We present the ExoPhoto database (https://exomol.com/exophoto/), an extension of the ExoMol database, specifically developed to address the growing need for high-accuracy, temperature-dependent photodissociation cross section data towards…
We report calculations of energy levels, radiative rates, collision strengths, and effective collision strengths for transitions among the lowest 25 levels of the n <= 5 configurations of He~II. The general-purpose relativistic atomic…
Integration of transition metal dichalcogenides (TMDs) on ferromagnetic materials (FM) may yield fascinating physics and promise for electronics and spintronic applications. In this work, high-temperature anomalous Hall effect (AHE) in the…
OH airglow is an important nocturnal emission of the Earth's mesopause region. As it is chemiluminescent radiation in a thin medium, the population distribution over the various roto-vibrational OH energy levels of the electronic ground…