Recent advances in collisional effects on spectra of molecular gases and their practical consequences
We review progress, since publication of the book``Collisional effects on molecular spectra:
Laboratory experiments and models, consequences for applications"(Elsevier, Amsterdam …
Laboratory experiments and models, consequences for applications"(Elsevier, Amsterdam …
The first comprehensive dataset of beyond-Voigt line-shape parameters from ab initio quantum scattering calculations for the HITRAN database: He-perturbed H2 …
We demonstrate a new method for populating line-by-line spectroscopic databases with
beyond-Voigt line-shape parameters, which is based on ab initio quantum scattering …
beyond-Voigt line-shape parameters, which is based on ab initio quantum scattering …
Evaluation of different parameterizations of temperature dependences of the line-shape parameters based on ab initio calculations: Case study for the HITRAN …
Temperature dependences of molecular line-shape parameters are important for the
spectroscopic studies of the atmospheres of the Earth and other planets. A number of …
spectroscopic studies of the atmospheres of the Earth and other planets. A number of …
Subpercent agreement between ab initio and experimental collision-induced line shapes of carbon monoxide perturbed by argon
We present fully ab initio calculations of second-overtone rovibrational line shapes of carbon
monoxide perturbed by argon. The quantum mechanical scattering problem between CO …
monoxide perturbed by argon. The quantum mechanical scattering problem between CO …
Prediction of high-order line-shape parameters for air-broadened O2 lines using requantized classical molecular dynamics simulations and comparison with …
Line-shape models such as the Hartmann-Tran (HT) profile have adjustable high-order
parameters that are usually determined by fits to experimental spectra. As an alternative …
parameters that are usually determined by fits to experimental spectra. As an alternative …
Line-shape parameters and their temperature dependences predicted from molecular dynamics simulations for O2-and air-broadened CO2 lines
Requantized classical molecular dynamics simulations (rCMDS) were performed for CO 2
highly diluted in O 2 at 200, 250, 296 and 350 K using a site-site intermolecular potential …
highly diluted in O 2 at 200, 250, 296 and 350 K using a site-site intermolecular potential …
[HTML][HTML] Fully quantum calculations of the line-shape parameters for the Hartmann-Tran profile: A CO-Ar case study
We present a procedure for generating the parameters of the Hartmann-Tran profile (HTP)
from purely first principles calculations. Starting from an absorber-perturber interaction …
from purely first principles calculations. Starting from an absorber-perturber interaction …
Prediction of line shape parameters and their temperature dependences for CO2–N2 using molecular dynamics simulations
We show in this paper that requantized classical molecular dynamics simulations (rCMDSs)
are capable of predicting various refined spectral-shape parameters of absorption lines of …
are capable of predicting various refined spectral-shape parameters of absorption lines of …
Fully quantum calculations of the line shape parameters for 1-0 P (22) and P (31) lines of CO perturbed by He or Ar
S Chai, Q Chen, D Yang, Y Zhou, D Xie - The Journal of Chemical …, 2022 - pubs.aip.org
This work reports the full quantum calculations of the spectral line shape parameters for the
P (22) line of 13 CO and the P (31) line of 12 CO in the fundamental band perturbed by He …
P (22) line of 13 CO and the P (31) line of 12 CO in the fundamental band perturbed by He …
Toward measurements of the speed-dependence of line-mixing
C Boulet, JM Hartmann - Journal of Quantitative Spectroscopy and …, 2021 - Elsevier
We theoretically demonstrate that some doublets of NH 3 broadened by Ar and heavier
atoms may be suitable for the first experimental demonstration of a so-far unstudied …
atoms may be suitable for the first experimental demonstration of a so-far unstudied …