The Leiden Atomic and Molecular Database (LAMDA): Current status, recent updates, and future plans

FFS van der Tak, F Lique, A Faure, JH Black… - Atoms, 2020 - mdpi.com
The Leiden Atomic and Molecular Database (LAMDA) collects spectroscopic information
and collisional rate coefficients for molecules, atoms, and ions of astrophysical and …

BASECOL2023 scientific content

ML Dubernet, C Boursier, O Denis-Alpizar… - Astronomy & …, 2024 - aanda.org
Context. The global context of making numerous data produced by researchers available
requires collecting and organising the data, assigning meaningful metadata, and presenting …

Improved temperature dependence of rate coefficients for rotational state-to-state transitions in H2O+ H2O collisions

B Mandal, D Babikov - Astronomy & Astrophysics, 2023 - aanda.org
Aims. We present an improved database of temperature-dependent rate coefficients for
rotational state-to-state transitions in H 2 O+ H 2 O collisions. The database includes 231 …

Mixed quantum/classical calculations of rotationally inelastic scattering in the CO+ CO system: a comparison with fully quantum results

D Bostan, B Mandal, C Joy, M Żółtowski… - Physical Chemistry …, 2024 - pubs.rsc.org
An updated version of the CO+ CO potential energy surface from [R. Dawes, XG Wang and
T. Carrington, J. Phys. Chem. A 2013, 117, 7612] is presented, that incorporates an …

New H2O–H2O collisional rate coefficients for cometary applications

C Boursier, B Mandal, D Babikov… - Monthly Notices of the …, 2020 - academic.oup.com
We re-introduce a semiclassical methodology based on theories developed for the
determination of broadening coefficients. We show that this simple and extremely fast …

Gas sources from the coma and nucleus of comet 46P/Wirtanen observed using ALMA

MA Cordiner, NX Roth, SN Milam… - The Astrophysical …, 2023 - iopscience.iop.org
Gas-phase molecules in cometary atmospheres (comae) originate primarily from (1)
outgassing by the nucleus,(2) sublimation of icy grains in the near-nucleus coma, and (3) …

Potential energy surface and bound states of the H2O–HF complex

J Loreau, YN Kalugina, A Faure… - The Journal of …, 2020 - pubs.aip.org
We present the first global five-dimensional potential energy surface for the H 2 O–HF dimer,
a prototypical hydrogen bonded complex. Large scale ab initio calculations were carried out …

Mixed quantum/classical theory for rotational energy exchange in symmetric-top-rotor+ linear-rotor collisions and a case study of the ND 3+ D 2 system

C Joy, B Mandal, D Bostan, D Babikov - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
The extension of mixed quantum/classical theory (MQCT) to describe collisional energy
transfer is developed for a symmetric-top-rotor+ linear-rotor system and is applied to ND3+ …

The effect of CO−H2O collisions in the rotational excitation of cometary CO

A Faure, F Lique, J Loreau - Monthly Notices of the Royal …, 2020 - academic.oup.com
We present the first accurate rate coefficients for the rotational excitation of CO by H2O in the
kinetic temperature range 5–100 K. The statistical adiabatic channel method (SACM) is …

Emission from hcn and ch3oh in comets-onsala 20-m observations and radiative transfer modelling

P Bergman, MS Lerner, AOH Olofsson… - Astronomy & …, 2022 - aanda.org
Aims. The aim of this work is to characterise HCN and CH 3 OH emission from recent
comets. Methods. We used the Onsala 20-m telescope to search for millimetre transitions of …