ExoMolHD: Precision spectroscopic data for studies of exoplanets and other hot atmospheres

Project Information

ExoMolHD

Grant agreement ID: 883830

DOI 10.3030/883830

EC signature date 20 May 2020

Start date 1 September 2020

End date 31 August 2025

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost € 2 486 340,00

EU contribution € 2 486 340,00

Coordinated by

UNIVERSITY COLLEGE LONDON
United Kingdom

Deliverables

Open Research Data Pilot (1)

Data Management Plan (DMP).

Data ManagementPlan (DMP).

Publications

Peer reviewed articles (40)

ExoMol line lists – L: high-resolution line lists of H3+, H2D+, D2H+, and D3+

Author(s): Charles A Bowesman; Irina I Mizus; Nikolay F Zobov; Oleg L Polyansky; János Sarka; Bill Poirier; Marco Pezzella; Sergei N Yurchenko; Jonathan Tennyson
Published in: Monthly Notices of the Royal Astronomical Society, Issue 16, 2022, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stad050

Electric quadrupole transitions in carbon dioxide

Author(s): A. Yachmenev, J. Küpper, A. Campargue, S.N. Yurchenko and J. Tennyson,
Published in: The Journal of chemical physics., 2021, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0053279

ExoMol line lists – XLVII. Rovibronic spectrum of aluminium monochloride (AlCl)

Author(s): Sergei N Yurchenko; Emma Nogué; Ala’a A A Azzam; Jonathan Tennyson
Published in: Monthly Notices of the Royal Astronomical Society, Issue 17, 2023, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stac3757

Variational analysis of HF dimer tunneling rotational spectra using an ab initio potential energy surface

Author(s): Polyansky, Oleg L.; Ovsyannikov, Roman I.; Tennyson, Jonathan; Belov, Sergei P.; Tretyakov, Mikhail Yu.; Makhnev, Vladimir Yu.; Zobov, Nikolai F.
Published in: Journal of Molecular Spectroscopy, Issue 11, 2022, ISSN 1096-083X
Publisher: Elsevier
DOI: 10.1016/j.jms.2021.111481

ExoMol line lists – XLVI. Empirical rovibronic spectra of silicon mononitrate (SiN) covering the six lowest electronic states and four isotopologues

Author(s): Mikhail Semenov; Nicholas Clark; Sergei N Yurchenko; Gap-Sue Kim; Jonathan Tennyson
Published in: Monthly Notices of the Royal Astronomical Society, Issue 17, 2022, Page(s) 1158–1169, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stac2004

Rovibronic spectroscopy of PN from first principles

Author(s): Mikhail Semenov; Nayla El-Kork; Sergei N. Yurchenko; Jonathan Tennyson
Published in: Physical Chemistry Chemical Physics, Issue 2, 2021, ISSN 1463-9084
Publisher: RSC
DOI: 10.1039/d1cp02537f

A variational model for the hyperfine resolved spectrum of VO in its ground electronic state

Author(s): Qianwei Qu; Sergei N. Yurchenko; Jonathan Tennyson
Published in: The Journal of Chemical Physics, Issue 17, 2022, Page(s) 124305, ISSN 1089-7690
Publisher: American Institute of Physics
DOI: 10.1063/5.0105965

Calculation of Electric Quadrupole Linestrengths for Diatomic Molecules: Application to the H2, CO, HF and O2 Molecules.

Author(s): Wilfrid Somogyi; Sergey N. Yurchenko; Andrey Yachmenev
Published in: The Journal of Chemical Physics, Issue 2, 2021, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0063256

ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)

Author(s): Sergei N. Yurchenko; Jonathan Tennyson; Anna-Maree Syme; Ahmad Y. Adam; Victoria H. J. Clark; B. D. Cooper; C. Pria Dobney; Shaun T. E. Donnelly; Maire N. Gorman; A. E. Lynas-Gray; A. E. Lynas-Gray; A. E. Lynas-Gray; Thomas Meltzer; Alec Owens; Qianwei Qu; Mikhail Semenov; Mikhail Semenov; Wilfrid Somogyi; Apoorva Upadhyay; Samuel Wright; Juan C. Zapata Trujillo
Published in: Monthly Notices of the Royal Astronomical Society, Issue 2, 2021, ISSN 0035-8711
Publisher: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab3267

ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)

Author(s): Yurchenko, Sergei N.; Tennyson, Jonathan; Syme, Anna-Maree; Adam, Ahmad Y.; Clark, Victoria H. J.; Cooper, Bridgette; Dobney, C. Pria; Donnelly, Shaun T. E.; Gorman, Maire N.; Lynas-Gray, Anthony E.; Meltzer, Thomas; Owens, Alec; Qu, Qianwei; Semenov, Mikhail; Somogyi, Wilfrid; Upadhyay, Apoorva; Wright, Samuel; Trujillo, Juan C. Zapata
Published in: Monthly Notices of the Royal Astronomical Society, Issue 23, 2022, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.48550/arxiv.2111.04859

Highly accurate HF dimer <i>ab initio</i> potential energy surface

Author(s): Roman I. Ovsyannikov; Vladimir Yu. Makhnev; Nikolai F. Zobov; Jacek Koput; Jonathan Tennyson; Oleg L. Polyansky
Published in: The Journal of Chemical Physics, Issue 17, 2022, Page(s) 164305, ISSN 1089-7690
Publisher: American Institute of Physics
DOI: 10.1063/5.0083563

A method for calculating temperature-dependent photodissociation cross sections and rates.

Author(s): Marco Pezzella; Sergei N. Yurchenko; Jonathan Tennyson
Published in: Physical Chemistry Chemical Physics, Issue 2, 2021, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cp02162a

Infrared Spectra of Small Radicals for Exoplanetary Spectroscopy: OH, NH, CN and CH: The State of Current Knowledge

Author(s): Svatopluk Civiš; Adam Pastorek; Martin Ferus; Sergei N. Yurchenko; Noor-Ines Boudjema
Published in: Molecules, Issue 18, 2022, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules28083362

An empirical spectroscopic model for eleven electronic states of VO

Author(s): Qu, Qianwei; Yurchenko, Sergei N.; Tennyson, Jonathan
Published in: Journal of Molecular Spectroscopy, Issue 17, 2023, Page(s) 111733, ISSN 1096-083X
Publisher: Elsevier
DOI: 10.1016/j.jms.2022.111733

A spectroscopic model for the low-lying electronic states of NO.

Author(s): Qianwei Qu; B. D. Cooper; Sergei N. Yurchenko; Jonathan Tennyson
Published in: The Journal of Chemical Physics, Issue 3, 2021, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0038527

Measurement and calculation of CO (7–0) overtone line intensities

Author(s): Aleksandr A. Balashov; Katarzyna Bielska; Gang Li; Aleksandra A. Kyuberis; Szymon Wójtewicz; Jolanta Domysławska; Roman Ciuryło; Nikolay F. Zobov; Daniel Lisak; Jonathan Tennyson; Oleg L. Polyansky
Published in: Physical Review Letters, Issue 17, 2022, ISSN 1079-7114
Publisher: American Institute of Physics
DOI: 10.1063/5.0152996

Analysis of measured high-resolution doublet rovibronic spectra and related line lists of ¹²CH and ¹⁶OH

Author(s): Tibor Furtenbacher; Samuel T. Hegedus; Jonathan Tennyson; Attila G. Császár
Published in: Physical Chemistry and Chemical Physics, Issue 16, 2022, ISSN 1463-9084
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2cp02240k

An <i>ab initio</i> study of the rovibronic spectrum of sulphur monoxide (SO): diabatic <i>vs.</i> adiabatic representation

Author(s): R. P. Brady; S. N. Yurchenko; G.-S. Kim; W. Somogyi; J. Tennyson
Published in: Physical Chemistry and Chemical Physics, Issue 20, 2022, ISSN 1463-9084
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2cp03051a

Improved Potential-Energy and Dipole-Moment Functions of the Ground Electronic State of Phosphorus Nitride

Author(s): V.G. Ushakov; M. Semenov; S.N. Yurchenko; A. Yu. Ermilov; E.S. Medvedev
Published in: Journal of Molecular Spectroscopy, Issue 3, 2022, ISSN 1096-083X
Publisher: Elsevier
DOI: 10.2139/ssrn.4460714

The nuclear-spin-forbidden rovibrational transitions of water from first principles

Author(s): Andrey Yachmenev; Guang Yang; Emil Zak; Sergei Yurchenko; Jochen Küpper
Published in: The Journal of Chemical Physics, Issue 18, 2022, ISSN 1089-7690
Publisher: American Institute of Physics
DOI: 10.1063/5.0090771

A global line list for HDO between 0 and 35000 cm^{−1} constructed using multiphoton spectra

Author(s): N.F. Zobov, M.A. Koshelev, D.S. Makarov, O.V. Boyarkin, V.G. Tyuterev, J. Tennyson and O.L. Polyansky
Published in: Journal of Quantitative Spectroscopy and Radiative Transfer, 2021, ISSN 0022-4073
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.107694

Fine and hyperfine resolved empirical energy levels of VO

Author(s): Charles A. Bowesman; Hanieh Akbari; W.Scott. Hopkins; Sergei N. Yurchenko; Jonathan Tennyson
Published in: Journal of Quantitative Spectroscopy and Radiative Transfer, Issue 17, 2022, Page(s) 108295, ISSN 1879-1352
Publisher: Elsevier
DOI: 10.1016/j.jqsrt.2022.108295

AlH lines in the blue spectrum of Proxima Centauri

Author(s): Yakiv V Pavlenko; Jonathan Tennyson; Sergei N Yurchenko; Mirek R Schmidt; Hugh R A Jones; Yuri Lyubchik; A Suárez Mascareño
Published in: Monthly Notices of the Royal Astronomical Society, Issue 16, 2022, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stac2588

Simple semiclassical model of pressure-broadened infrared/microwave linewidths in the temperature range 200–3000 K

Author(s): Jeanna Buldyreva; Sergei N Yurchenko; Jonathan Tennyson
Published in: RAS Techniques and Instrument, Issue 1, 2022, Page(s) 43-47, ISSN 2752-8200
Publisher: Oxford University Press
DOI: 10.1093/rasti/rzac004

Sub-percent accuracy for the intensity of a near-infrared water line at 10,670 cm⁻¹: experiment and analysis

Author(s): Tom M. Rubin; Marian Sarrazin; Nikolai F. Zobov; Jonathan Tennyson; Oleg L. Polyansky
Published in: Molecular Physics, Issue 5, 2022, Page(s) e2063769, ISSN 1362-3028
Publisher: Taylor and Francis
DOI: 10.1080/00268976.2022.2063769

An experimentally-accurate and complete room-temperature infrared HCN line-list for the HITRAN database

Author(s): Georg Ch. Mellau; Vladimir Yu. Makhnev; Iouli E. Gordon; N. F. Zobov; Jonathan Tennyson; Oleg L. Polyansky; Oleg L. Polyansky
Published in: Journal of Quantitative Spectroscopy and Radiative Transfer, Issue 1, 2021, ISSN 0022-4073
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.107666

The W2020 Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of Water Isotopologues. II. H217O and H218O with an Update to H216O

Author(s): Tibor Furtenbacher; Roland Tóbiás; Jonathan Tennyson; Oleg L. Polyansky; Oleg L. Polyansky; Aleksandra A. Kyuberis; Roman I. Ovsyannikov; N. F. Zobov; Attila G. Császár
Published in: Journal of Physical and Chemical Reference Data, 49(4):043103. AMER INST PHYSICS, Issue 4, 2021, ISSN 0047-2689
Publisher: American Chemical Society
DOI: 10.1063/5.0030680

Modelling the non-local thermodynamic equilibrium spectra of silylene (SiH2).

Author(s): Victoria H. J. Clark; Sergei N. Yurchenko
Published in: Physical Chemistry Chemical Physics, Issue 13, 2021, ISSN 1463-9084
Publisher: RSC
DOI: 10.1039/d1cp00839k

ExoMol molecular line lists – XLIII. Rovibronic transitions corresponding to the close-lying X 2Π and A 2Σ+ states of NaO

Author(s): G.B. Mitev, S. Taylor, J. Tennyson, S.N. Yurchenko, A.A. Buchachenko and A.V. Stolyarov
Published in: Monthly Notices of the Royal Astronomical Society, 2021, ISSN 0035-8711
Publisher: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab3357

ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)

Author(s): Alec Owens; Sophie Dooley; Luke McLaughlin; Brandon Tan; Guanming Zhang; Sergei N Yurchenko; Jonathan Tennyson
Published in: Monthly Notices of the Royal Astronomical Society, Issue 22, 2022, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stac371

<scp>ExoMol</scp> photodissociation cross-sections – I. HCl and HF

Author(s): Marco Pezzella; Jonathan Tennyson; Sergei N Yurchenko
Published in: Monthly Notices of the Royal Astronomical Society, Issue 14, 2022, Page(s) 4413-4425, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stac1634

ExoMol line lists – XLVII. Rovibronic molecular line list of the calcium monohydroxide radical (CaOH)

Author(s): Alec Owens; Alexander Mitrushchenkov; Sergey Yurchenko; Jonathan Tennyson
Published in: Monthly Notices of the Royal Astronomical Society, Issue 19, 2022, Page(s) 3995–4002, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stac2462

An improved rovibrational linelist of formaldehyde, H212C16O

Author(s): Afaf R. Al-Derzi; Jonathan Tennyson; Sergei N. Yurchenko; Mattia Melosso; Ningjing Jiang; Cristina Puzzarini; Luca Dore; Tibor Furtenbacher; Roland Tóbiás; Attila G. Császár
Published in: Journal of quantitative spectroscopy and radiative transfer, Issue 5, 2021, ISSN 0022-4073
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.107563

A high-resolution line list for AlO

Author(s): Charles A. Bowesman; Meiyin Shuai; Sergei N. Yurchenko; Jonathan Tennyson
Published in: Monthly Notices of the Royal Astronomical Society, Issue 4, 2021, ISSN 0035-8711
Publisher: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab2525

A Method for the Variational Calculation of Hyperfine-Resolved Rovibronic Spectra of Diatomic Molecules

Author(s): Qianwei Qu; Sergei N. Yurchenko; Jonathan Tennyson
Published in: Journal of Chemical Theory and Computation, Issue 17, 2022, Page(s) 1808, ISSN 1549-9626
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.1c01244

Non-local thermal equilibrium spectra of atmospheric molecules for exoplanets

Author(s): Sam Wright; Sergey Yurchenko; Ingo Waldmann
Published in: Monthly Notices of the Royal Astronomical Society, Issue 24, 2022, Page(s) 2911–2924, ISSN 1365-2966
Publisher: Oxford University Press
DOI: 10.1093/mnras/stac654

ExoMol molecular line lists -- XLII: Rovibronic molecular line list for the low-lying states of NO

Author(s): Qianwei Qu; Sergei N. Yurchenko; Jonathan Tennyson
Published in: Monthly Notices of the Royal Astronomical Society, Issue 5, 2021, ISSN 0035-8711
Publisher: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab1154

Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)

Author(s): Alec Owens; Victoria H. J. Clark; Alexander O. Mitrushchenkov; Sergei N. Yurchenko; Jonathan Tennyson
Published in: The Journal of Chemical Physics, Issue 4, 2021, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0052958

Cross-sections for heavy atmospheres: H2O continuum

Author(s): L. Anisman, K.L. Chubb, J. Elsey, A. Al-Refaie, Q. Changeat, S.N. Yurchenko, J. Tennyson and G. Tinetti
Published in: Journal of Quantitative Spectroscopy and Radiative Transfer, 2022, ISSN 0022-4073
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.108013

High Accuracy Molecular Line Lists for Studies of Exoplanets and Other Hot Atmospheres

Author(s): Jonathan Tennyson and Sergey N. Yurchenko
Published in: Frontiers in Astronomy and Space Sciences, 2022, ISSN 2296-987X
Publisher: Frontiers Media S.A
DOI: 10.3389/fspas.2021.795040