Ab initio calculations at the SCF and CEPA levels have been performed for the interaction potential between O(3P) and H-2(X 1-SIGMA(g)+) at separations in the van der Waals region. Potential curves for 3-SIGMA-, 3-PI (collinear approach), 3A2, 3B1, 3B2 (orthogonal approach) and 3A' (45-degrees approach) are presented and used in quantum mechanical close coupling calculations of the cross sections for the de-excitation of fine structure transitions in O(3P(J)) by ortho- and para-H-2. The rate coefficients for these and the reverse transitions are evaluated for a wide range of temperatures.
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Univ Lorraine, CRM2, UMR 7036, F-54506 Vandoeuvre Les Nancy, France
CNRS, CRM2, UMR 7036, F-54506 Vandoeuvre Les Nancy, FranceUniv Lorraine, CRM2, UMR 7036, F-54506 Vandoeuvre Les Nancy, France
Terenzi, Camilla
Bouguet-Bonnet, Sabine
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Univ Lorraine, CRM2, UMR 7036, F-54506 Vandoeuvre Les Nancy, France
CNRS, CRM2, UMR 7036, F-54506 Vandoeuvre Les Nancy, FranceUniv Lorraine, CRM2, UMR 7036, F-54506 Vandoeuvre Les Nancy, France
Bouguet-Bonnet, Sabine
Canet, Daniel
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Univ Lorraine, IJB, FR 2843, F-54506 Vandoeuvre Les Nancy, France
CNRS, IJB, FR 2843, F-54506 Vandoeuvre Les Nancy, FranceUniv Lorraine, CRM2, UMR 7036, F-54506 Vandoeuvre Les Nancy, France