2009
DOI: 10.1063/1.3137583
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Rotational excitation and de-excitation of C2(X Σ1g+) by para-H2(j=)

Abstract: For the van der Waals C(2)(X (1)Sigma(g)(+))-H(2) molecular system, we generated a new ab initio potential energy surface (PES). We mapped this PES at the multireference internally contracted configuration-interaction method including the Davidson correction together with a large diffuse basis set. Then, we incorporated our PES into quantum scattering calculations at the close coupling and infinite order sudden approximation methods to cover collision energies ranging from 0.1 up to 4000 cm(-1). After Boltzman… Show more

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Cited by 33 publications
(30 citation statements)
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“…Second, the cross section for excitation via collisions is larger than the value suggested by van Dischoek & Black (1982). More recent quantum mechanical calculations (Lavendy et al 1991;Robbe et al 1992;Najar et al 2008Najar et al , 2009 indicate a cross section of 4 × 10 −16 cm 2 , rather than 2 × 10 −16 cm 2 .…”
Section: Interstellar Cmentioning
confidence: 98%
“…Second, the cross section for excitation via collisions is larger than the value suggested by van Dischoek & Black (1982). More recent quantum mechanical calculations (Lavendy et al 1991;Robbe et al 1992;Najar et al 2008Najar et al , 2009 indicate a cross section of 4 × 10 −16 cm 2 , rather than 2 × 10 −16 cm 2 .…”
Section: Interstellar Cmentioning
confidence: 98%
“…Collisional rates for excitation of C 2 with H 2 were computed by Lavendy et al (1991) in IOS approximation. Recently, collisional rates with He have been computed by Najar et al (2009). Both approaches are consistent at higher kinetic temperatures.…”
mentioning
confidence: 91%
“…More recently, Lique and coworkers (Dumouchel, Faure & Lique 2010; Sarrasin et al 2010) provided accurate HCN and HNC rate coefficients for a large number of rotational levels ( j = 0–25) and a wide range of temperature (5 to 500 K). However, the collisional partner remained to be the He atom and recent results on rotational excitation of CO (Wernli et al 2006), SO (Lique et al 2007), SiS (Kłos & Lique 2008; Lique et al 2008) and C 2 (Najar et al 2009) have pointed out that rate coefficients for collisions with para‐H 2 ( j = 0) can be up to a factor of 3 larger or smaller than those for collisions with He, depending on the selected transition. Hence, it seems important to provide rate coefficients for the HCN–H 2 collisional system.…”
Section: Introductionmentioning
confidence: 99%