Related papers: Radiative lifetimes and cooling functions for astr…
Isotopes with low-lying long-lived isomers can behave very differently from other isotopes in astrophysical environments. In particular, the assumption of thermal equilibrium in computing the temperature-dependent $\beta$-decay rates of…
A new ro-vibrational line list for the ground electronic state of the main isotopologue of acetylene, $^{12}$C$_2$H$_2$, is computed as part of the ExoMol project. The aCeTY line list covers the transition wavenumbers up to 10,000 cm$^{-1}$…
Magnetic quadrupole and electric octupole transitions from the configurations $4p^54d^{N+1}$ and $4p^64d^{N-1}4f$ were calculated along with magnetic dipole, electric dipole and electric quadrupole radiative transitions in quasirelativistic…
We investigate by first-principles simulations the resonant electron-transfer lifetime from the excited state of an organic adsorbate to a semiconductor surface, namely isonicotinic acid on rutile TiO$_2$(110). The molecule-substrate…
Magneto-optically trapped atoms enable the determination of lifetimes of metastable states and higher lying excited states like the $\rm{5d^{2}~^{3}F_{2}}$ state in barium. The state is efficiently populated by driving strong transitions…
Employing two state-of-the-art methods, multiconfiguration Dirac--Hartree--Fock and second-order many-body perturbation theory, the excitation energies and lifetimes for the lowest 200 states of the $2s^2 2p^4$, $2s 2p^5$, $2p^6$, $2s^2…
Comprehensive vibration-rotation line lists for eight isotopologues of carbon monosulphide (CS) ($^{12}$C$^{32}$S, $^{12}$C$^{33}$S, $^{12}$C$^{34}$S, $^{12}$C$^{36}$S, $^{13}$C$^{32}$S, $^{13}$C$^{33}$S, $^{13}$C$^{34}$S, $^{13}$C$^{36}$S)…
The radiative lifetime of the $A$ $^2 \Pi_{1/2}$ (v=0) state in radium monofluoride (RaF) is measured to be 35(1) ns. The lifetime of this state and the related decay rate $\Gamma = 2.86(8) \times 10^7$ $s^{-1}$ are of relevance to the…
The radiative decay of excited states of the negative ion of rhodium, Rh$^-$, has been investigated experimentally and theoretically. The experiments were conducted at the Double ElectroStatic Ion Ring Experiment (DESIREE) facility at…
Extensive rovibrational line lists are constructed for 12 isotopologues of carbon dioxide: $^{12}$C$^{16}$O$_2$, $^{13}$C$^{16}$O$_2$, $^{12}$C$^{17}$O$_2$, $^{13}$C$^{17}$O$_2$, $^{12}$C$^{18}$O$_2$, $^{13}$C$^{18}$O$_2$,…
Neutral molecules, isolated in the gas-phase, can be prepared in a long-lived excited state and stored in a trap. The long observation time afforded by the trap can then be exploited to measure the radiative lifetime of this state by…
We report new calculations of the cooling rate of primordial gas by the HD molecule, taking into account its ro-vibrational structure. The HD cooling function is calculated including radiative and collisional transitions for J\le8…
Tiny radiative losses below the 0.1% level can prove ruinous to the effective laser cooling of a molecule. In this paper the laser cooling of a hydride is studied with rovibronic detail using ab initio quantum chemistry in order to document…
Ro-vibrational Stark-associated phenomena of small polyatomic molecules are modelled using extensive spectroscopic data generated as part of the ExoMol project. The external field Hamiltonian is built from the computed ro-vibrational line…
Hot electrons are theoretically predicted to be long-lived in strongly confined quantum dots, which could play vital roles in quantum dot-based optoelectronics; however, existing photoexcitation transient spectroscopy investigations reveal…
A new hot line list for $^{14}$NH$_3$ is presented. The line list CoYuTe was constructed using an accurate, empirically refined potential energy surface and a CCSD(T)/aug-cc-pVQZ ab initio dipole moment surface of ammonia, previously…
The recent identification of strongly bound excitons in room temperature anatase TiO$_2$ single crystals and nanoparticles underscores the importance of bulk many-body effects in samples used for applications. Here, for the first time, we…
Temperate terrestrial exoplanets are likely common objects, but their discovery and characterization is very challenging. Concepts for optimized space missions to overcome these challenges are being studied. The LIFE initiative focuses on…
Comprehensive rotation-vibration line lists are presented for the two main isotopologues of methyl chloride, $^{12}$CH$_3{}^{35}$Cl and $^{12}$CH$_3{}^{37}$Cl. The line lists, OYT-35 and OYT-37, are suitable for temperatures up to…
We present a detailed analysis of the molecular kinetics of CHCl$_3$ in a range of temperatures covering the solid and liquid phases. Using nuclear quadrupolar resonance we determine the relaxation times for the molecular rotations in solid…