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Register a new userDissociative electron attachment cross sections for ro-vibrationally excited NO molecule and N- anion formation
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Motivated by the huge need of data for non-equilibrium plasma modeling, a theoretical investigation of dissociative electron attachment to the NO molecule is performed. The calculations presented here are based on the Local-Complex-Potential approach, taking into account five NO$^-$ resonances. Three specific channels of the process are studied, including the production of excited nitrogen atoms $mathrm{N}(^2mathrm{D})$ and of its anions N$^-$. Interpretation of the existing experimental data and their comparison with our theoretical result are given. A full set of ro-vibrationally-resolved cross sections and the corresponding rate coefficients are reported. In particular, a relatively notably large cross section of N$^-$ ion formation at low energy of the incident electron and for vibrationally excited NO target is predicted. Finally, molecular rotation effects are discussed.
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A theoretical investigation of the dissociative excitation by electron impact on the NO molecule is presented, aiming to make up for the lack of data for this process in the literature. A full set of vibrationally-resolved cross sections and corresponding rate coefficients are calculated using the Local-Complex-Potential approach and five resonant states of NO^-.
Low-energy E < 2 eV electron elastic collisions with Ge, Sn and Pb atoms yield stable excited Ge-, Sn- and Pb- anions. The recent Regge-pole methodology is used with Thomas-Fermi type potential incorporating the crucial core-polarization interaction to calculate elastic total and Mulholland partial cross sections. For excited Ge- and Sn- anions the extracted binding energies from the unique characteristic sharp Regge resonances manifesting stable excited states formed during the collisions agree excellently with experimental values; for Pb- the prediction requires experimental verification. The calculated differential cross sections also yield the binding energies.
We present experimental results for dissociative electron attachment to acetylene near the 3 eV $^2Pi_g$ resonance. In particular, we use an ion-momentum imaging technique to investigate the dissociation channel leading to C$_2$H$^-$ fragments. From our measured ion-momentum results we extract fragment kinetic energy and angular distributions. We directly observe a significant dissociation bending dynamic associated with the formation of the transitory negative ion. In modeling this bending dynamic with emph{ab initio} electronic structure and fixed-nuclei scattering calculations we obtain good agreement with the experiment.
We have used the convergent close-coupling method and a unitarized first-order many-body theory to calculate integral cross sections for elastic scattering and momentum transfer, for excitation of the 5d^2 ^1S, 6s6p^1P_1, 6s7p^1P_1, 6s8p^1P_1, 6s5d^1D_2, 5d^2^1D_2, 6s6d^1D_2, 6p5d^1F_3, 6s4f^1F_3, 6p5d^1D_2, 6s6p^3P_{0,1,2}, 6s5d^3D_{1,2,3}, and 6p5d^3D_2 states, for ionization and for total scattering by electron impact on the ground state of barium at incident electron energies from 1 to 1000 eV. These results and all available experimental data have been combined to produce a recommended set of integral cross sections.
We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by using the multi-configuration time-dependent Hartree method. The calculations employ our previously obtained global, complex-valued, potential-energy surfaces for the three (doublet B1, doublet A1, and doublet B2) electronic Feshbach resonances involved in this process. These three metastable states of H2O- undergo several degeneracies, and we incorporate both the Renner-Teller coupling between the B1 and A1 states as well as the conical intersection between the A1 and B2 states into our treatment. The nuclear dynamics are inherently multidimensional and involve branching between different final product arrangements as well as extensive excitation of the diatomic fragment. Our results successfully mirror the qualitative features of the major fragment channels observed, but are less successful in reproducing the available results for some of the minor channels. We comment on the applicability of the local complex potential model to such a complicated resonant system.
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