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We describe the recent updates to the ExoMol database regarding the molecular spectral line shapes. ExoMol provides comprehensive molecular line lists with a special emphasis on the applications involving characterization of atmospheres of…

Earth and Planetary Astrophysics · Physics 2017-11-01 Sergey Yurchenko , Jonathan Tennyson , Emma J. Barton

Current situation in studies of mean lifetimes of excited electronic-vibro-rotational states of hydrogen molecule (including the H2, D2, HD and T2 isotopomers) is reviewed in brief. All measured values of the lifetimes (published before…

Optics · Physics 2009-10-11 S. A. Astashkevich , B. P. Lavrov

Since their first experimental observation, ultralong-range Rydberg molecules consisting of a highly excited Rydberg atom and a ground state atom have attracted the interest in the field of ultracold chemistry. Especially the intriguing…

SiH has long been observed in the spectrum of our Sun and other cool stars. Computed line lists for the main isotopologues of silicon monohydride, $^{28}$SiH, $^{29}$SiH, $^{30}$SiH and $^{28}$SiD are presented. These line lists consider…

Solar and Stellar Astrophysics · Physics 2017-12-13 Sergei N. Yurchenko , Frances Sinden , Lorenzo Lodi , Christian Hill , Maire N. Gorman , Jonathan Tennyson

Methanol (CH$_{3}$OH) is a key complex organic molecule (COM) in the interstellar medium, widely used as a tracer of dense gas and hot molecular cores (HMCs). Using high-resolution ALMA observations from the ATOMS survey, we investigate the…

A simple microscopic mechanism explaining the linear dependence of the radiative lifetime of free-moving two-dimensional excitons on their effective temperature is suggested. It is shown that there exists a characteristic effective…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 A. V. Paraskevov

We observe 84 candidate young high-mass sources in the rare isotopologues C17O and C18O to investigate whether there is evidence for depletion (freeze-out) towards these objects. Observations of the J=2-1 transitions of C18O and C17O are…

Astrophysics · Physics 2009-11-13 H. S. Thomas , G. A. Fuller

An accurate line list for calcium oxide is presented covering transitions between all bound ro-vibronic levels from the five lowest electronic states \X, \Ap, \A, \astate, and \bstate. The ro-vibronic energies and corresponding…

Astrophysics of Galaxies · Physics 2016-07-05 Sergei N. Yurchenko , Audra Blissett , Usama Asari , Marcus Vasilios , Christian Hill , Jonathan Tennyson

A new line list for ethylene, $^{12}$C$_2$$^1$H$_4$ is presented. The line list is based on high level ab initio potential energy and dipole moment surfaces. The potential energy surface is refined by fitting to experimental energies. The…

Earth and Planetary Astrophysics · Physics 2018-08-21 Barry P. Mant , Andrey Yachmenev , Jonathan Tennyson , Sergei N. Yurchenko

Metastability and long-range interactions of Mg, Ca, and Sr in the lowest-energy metastable $^3P_2$ state are investigated. The calculated lifetimes are 38 minutes for Mg*, 118 minutes for Ca*, and 17 minutes for Sr*, supporting feasibility…

Atomic Physics · Physics 2009-11-07 Andrei Derevianko

Aims: We aim to simulate radial profiles of molecular abundances and the gas temperature in cold and heavily shielded starless cores by combining chemical and radiative transfer models. Methods: A determination of the dust temperature in a…

Astrophysics of Galaxies · Physics 2015-06-05 O. Sipilä

New hot line lists for five isotopologues of N$_2$O are presented, for the parent $^{14}$N$_2^{16}$O and 4 singly substituted species $^{14}$N$_2^{17}$O, $^{14}$N$_2^{18}$O, $^{14}$N$^{15}$N$^{16}$O and $^{15}$N$^{14}$N$^{16}$O. The line…

Earth and Planetary Astrophysics · Physics 2024-10-01 Sergei N. Yurchenko , Thomas M. Mellor , Jonathan Tennyson

We tabulate spontaneous emission rates for all possible 811 electric-dipole-allowed transitions between the 75 lowest-energy states of Ca I. These involve the $4sns$ ($n=4-8$), $4snp$ ($n=4-7$), $4snd$ ($n=3-6$), $4snf$ ($n=4-6$), $4p^2$,…

Atomic Physics · Physics 2017-11-22 Yanmei Yu , Andrei Derevianko

First-principles calculations of the inelastic lifetime of low-energy electrons in Al, Mg, Be, and Cu are reported. Quasiparticle damping rates are evaluated from the knowledge of the electron self-energy, which we compute within the GW…

Materials Science · Physics 2009-10-31 I. Campillo , V. M. Silkin , J. M. Pitarke , E. V. Chulkov , A. Rubio , P. M. Echenique

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 {\it ab initio} electronic structure calculations and then tuned…

Solar and Stellar Astrophysics · Physics 2016-10-20 Laura K. McKemmish , Sergei N. Yurchenko , Jonathan Tennyson

In this Communication, it is shown that models used for describing generation and recombination of electrons and holes lead to disagreements with Maxwell's electrodynamics. Self-consistent expressions, more adequately depicting the actual…

Soft Condensed Matter · Physics 2009-11-10 I. N. Volovichev , G. N. Logvinov , O. Yu. Titov , Yu. G. Gurevich

The astrophysically important electric quadrupole (E2) and magnetic dipole (M1) transitions for the low-lying states of triply ionized titanium (Ti IV) are calculated very accurately using a state-of-art all-order many-body theory called…

Atomic Physics · Physics 2007-08-22 Subhasish Mandal , Gopal Dixit , B. K. Sahoo , R. K. Chaudhuri , Sonjoy Majumder

A study of the intensity-borrowing mechanisms important to optical cycling transitions in laser-coolable polyatomic molecules arising from non-adiabatic coupling, contributions beyond the Franck-Condon approximation, and Fermi resonances is…

Chemical Physics · Physics 2023-07-19 Chaoqun Zhang , Nicholas R. Hutzler , Lan Cheng

Silicon dioxide (SiO$_2$) is expected to occur in the atmospheres of hot rocky super-Earth exoplanets but a lack of spectroscopic data is hampering its possible detection. Here, we present the first, comprehensive molecular line list for…

Earth and Planetary Astrophysics · Physics 2020-05-29 A. Owens , E. K. Conway , J. Tennyson , S. N. Yurchenko

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 evolved stars as well as the interstellar medium. This work…