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2008ApJ...686..379B - Astrophys. J., 686, 379-383 (2008/October-2)

Low-temperature rate constants for rotational excitation and de-excitation of C3(X1Σ+g) by collisions with He (1S).

BEN ABDALLAH D., HAMMAMI K., NAJAR F., JAIDANE N., BEN LAKHDAR Z., SENENT M.L., CHAMBAUD G. and HOCHLAF M.

Abstract (from CDS):

The low-temperature rotational (de-) excitation of C3(X1Σ+g) by collisions with He (1S) is studied using an ab initio potential energy surface (PES). This PES has been calculated using the single- and double-excitation coupled-cluster approach with noniterative perturbational treatment of triple excitations [CCSD(T)] and the augmented correlation-consistent triple-ζ basis set (aug-cc-pVTZ) with bond functions. This PES is then incorporated in full close-coupling quantum scattering calculations for collision energies between 0.1 and 50/cm1 in order to deduce the rate constants for rotational levels of C3 up to j=10, covering the temperature range 5-15 K.

Abstract Copyright:

Journal keyword(s): Astrochemistry - Infrared: ISM - ISM: Molecules - Molecular Data

Simbad objects: 2

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