J Chem Phys
November 2014
Dissociative recombination rate constants are reported with electron temperature dependent uncertainties for the lowest 5 vibrational levels of the N2 (+) ground state. The rate constants are determined from ab initio calculations of potential curves, electronic widths, quantum defects, and cross sections. At 100 K electron temperature, the rate constants overlap with the exception of the third vibrational level.
View Article and Find Full Text PDFJ Chem Phys
September 2013
Theoretical ab initio calculations are reported of the cross sections for dissociative recombination of the lowest four excited vibrational levels of N2(+) at electron energies from 0.001 to 1.0 eV.
View Article and Find Full Text PDFLarge scale ab initio calculations are reported for the diabatic (3)Π, (1)Π, (1)Σ(+), (1)Δ, (3)Σ(+), and (3)Δ valence states of CO that provide routes for the dissociative recombination of the ground electronic and vibrational state of CO(+). The most important routes are 2(3)Π, 3(3)Π, 2(1)Π, and D'(1)Σ(+). For electron energies below 0.
View Article and Find Full Text PDFComprehensive theoretical calculations are reported for the dissociative recombination of the lowest vibrational level of the N(2)(+) ground state. Fourteen dissociative channels, 21 electron capture channels, and 48 Rydberg series including Rydberg states having the first excited state of the ion as core are described for electron energies up to 1.0 eV.
View Article and Find Full Text PDFIntermediate states formed during the dissociative recombination of molecular ions with electrons can play significant roles in determining the magnitude of the total rate coefficient. These resonances are Rydberg states of two types, that is, they can have the ground or excited states of the ion as a core. Those with the excited cores have a fundamentally different excitation mechanism than those with the ground state core.
View Article and Find Full Text PDFThe dependence of the dissociative recombination cross section upon the angle between the incoming electron beam and the ion internuclear axis is determined for diatomic molecules. Product angular distributions are derived for the component partial waves of the Coulomb wave function. In agreement with earlier results for dissociative attachment, it is shown that in the slow rotation approximation, if electron capture is dominated by a single partial wave, the product angular distribution is given by the square of the absolute value of the partial wave spherical harmonic describing the incoming electron.
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