VIBFREQ1295: A new database for vibrational frequency calculations

JC Zapata Trujillo, LK McKemmish - The Journal of Physical …, 2022 - ACS Publications
High-throughput approaches for producing approximate vibrational spectral data for
molecules of astrochemistry interest rely on harmonic frequency calculations using …

An accurate, extensive, and practical line list of methane for the HITEMP database

RJ Hargreaves, IE Gordon, M Rey… - The Astrophysical …, 2020 - iopscience.iop.org
A methane line list for the HITEMP spectroscopic database, covering 0–13,400 cm− 1 (> 746
nm), is presented. To create this compilation, ab initio line lists of 12 CH 4 from Rey et al …

Sub-Doppler optical-optical double-resonance spectroscopy using a cavity-enhanced frequency comb probe

V Silva de Oliveira, I Silander, L Rutkowski… - Nature …, 2024 - nature.com
Accurate parameters of molecular hot-band transitions, ie, those starting from vibrationally
excited levels, are needed to accurately model high-temperature spectra in astrophysics and …

High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models

V Tyuterev, S Tashkun, M Rey, A Nikitin - Molecular Physics, 2022 - Taylor & Francis
The paper describes methods and fast computational algorithm for building effective
Hamiltonians in molecular physics using perturbative approach. Separations of fast and …

Terahertz rotational spectroscopy of greenhouse gases using long interaction path-lengths

A Cuisset, F Hindle, G Mouret, R Bocquet… - Applied Sciences, 2021 - mdpi.com
Even if on-board mm-wave/THz heterodyne receivers have been developed to measure
greenhouse gases (GHGs) atmospheric profiles, rotational spectroscopy rests under …

[HTML][HTML] A methane line list with sub-MHz accuracy in the 1250 to 1380 cm− 1 range from optical frequency comb Fourier transform spectroscopy

M Germann, A Hjältén, V Boudon, C Richard… - Journal of Quantitative …, 2022 - Elsevier
We use a Fourier transform spectrometer based on a difference frequency generation optical
frequency comb to measure high-resolution, low-pressure, room-temperature spectra of …

Laser absorption spectroscopy of methane at 1000 K near 1.7 µm: A validation test of the spectroscopic databases

M Ghysels, S Vasilchenko, D Mondelain… - Journal of Quantitative …, 2018 - Elsevier
A tubular furnace is combined with a diode laser spectrometer to record the high
temperature near infrared absorption spectrum of methane at a pressure of 80 Torr. The …

Quantifying methane vibrational and rotational temperature with Raman scattering

TD Butterworth, B Amyay, DVD Bekerom… - Journal of Quantitative …, 2019 - Elsevier
This work describes the theoretical basis and implementation of the measurement of
vibrational (T vib) and rotational (T rot) temperatures in CH 4 by fitting spontaneous Raman …

Calculated spectroscopic databases for the VAMDC portal: New molecules and improvements

C Richard, V Boudon, M Rotger - Journal of Quantitative Spectroscopy and …, 2020 - Elsevier
We report the current status of our calculated spectroscopic relational databases. They
contain line lists for specific molecules, that result from recently published spectroscopic …

Atlas of Experimental and Theoretical High-temperature Methane Cross Sections from T= 295 to 1000 K in the Near-infrared

A Wong, PF Bernath, M Rey, AV Nikitin… - The Astrophysical …, 2019 - iopscience.iop.org
Spectra of hot methane were recorded using a tube furnace and a high-resolution Fourier
transform spectrometer. We obtained experimental absorption spectra in the 1.85–1.11 μm …