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Scalable \textsl{Ab initio}~Calculations of CO$_{\rm 2}$-H$_{\rm 2}$ and CO$_{\rm 2}$–He Collisional Properties

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Zenodo2026-06-03 更新2026-06-05 收录
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Total Number of Files: 11 including ReadMe.md Potential Files used with YUMI in: Files: CO2-H2.pot, CO2-He.pot Power Exponent: Files: PowerExponentHelium.txt, PowerExponentHydrogen.txt Fit for the free parameters from equation 12, and equation 13, which are also given in Table 3. Pressure Broadening: Files: FullCalculation_CO2Helium.list, FullCalculation_CO2orthoH2.list, FullCalculation_CO2paraH2.list Contains value 1 m1 - Lower Transition Level 2 m2 - Upper Transition Level 3 Temperature [K] 4 CrossSection - [Angstrom^2] 5 Pressure - Pressure broadening [10^-3 cm/atm] RPA_Rates.txt 1- T — Temperature in K 2- JC1 — Lower rotational state 3 JC2 — Upper rotational state 4 sigma_T — Temperature-averaged cross section 5 gamma_milli_cm_inv_atm — Pressure broadening coefficient in 10^-3 cm/atm 6 gamma_korona — Korona-derived pressure broadening coefficient 7 type — Collision/transition type identifier 1- CO2-Helium, 2 - CO2-para Hydrogen, 3 - CO2-ortho Hydrogen ElasticRatesCoefficients.txt and InElasticRatesCoefficients provide the rate coefficients across temperature for different transition. The inelastic coefficients are provide for de-excitation. The rows are 1 - JC1 — Initial rotational state 2 - JC2 — Final rotational state 3 - T — Temperature in K 4 - Rates in 10^{-10} cm^3/s 5 - Type — Collision/transition type identifier 1- CO2-Helium, 2 - CO2-para Hydrogen, 3 - CO2-ortho Hydrogen

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2026-05-29
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