Accurate Rayleigh and Raman scattering cross sections, tensor components, depolarization ratios, and reversal coefficients for all rovibrational transitions within the X1Σg+ ground electronic state of H2 have been calculated. Raman spectra have been generated using these data. A method for calculating Raman scattering cross sections is formulated that is valid below the ionization threshold and in the region containing resonances, which explicitly accounts for all bound and dissociative vibrational levels of the bound intermediate electronic states and approximately accounts for the ionization continuum.
View Article and Find Full Text PDFWe report the development of a vibrational-electronic convergent close-coupling method for electron-molecule scattering with an ab-initio account of the coupling between the electronic and vibrational motions. The technique has been applied to scattering on molecular hydrogen, including coupling between vibrational levels in the first 11 electronic states. Distinct resonances associated with the temporary formation of the H_{2}^{-} ion are present between 10 and 14 eV for numerous transitions, including vibrational excitation of the X ^{1}Σ_{g}^{+} state, dissociation via the b ^{3}Σ_{u}^{+} state, and excitation of the B ^{1}Σ_{u}^{+} state.
View Article and Find Full Text PDFPhys Rev Lett
February 2020
Accurate calculation of spectral line broadening is important for many hot, dense plasma applications. However, calculated line widths have significantly underestimated measured widths for Δn=0 lines of Li-like ions, which is known as the isolated-line problem. In this Letter, scrutinization of the line-width derivation reveals that the commonly used expression neglects a potentially important contribution from electron-capture.
View Article and Find Full Text PDFAt Data Nucl Data Tables
January 2019
Analytic fits to the recommended electron-impact excitation and ionization cross sections for Be I are presented. The lowest 19 terms of configurations 2 ( ≤ 4) and 2 terms below the first ionization limit are considered. The fits are based on the accurate calculations with the convergent close coupling (CCC) method as well as the B-spline R-matrix (BSR) approach.
View Article and Find Full Text PDFUsing classical arguments Wannier [Phys. Rev. 90, 817 (1953)PHRVAO0031-899X10.
View Article and Find Full Text PDFStopping powers of H, He, H, and HO targets for antiprotons have been calculated using a convergent close-coupling method. For He and H targets electron-electron correlations are fully accounted for using a multiconfiguration approximation. Two-electron processes are included using an independent-event model.
View Article and Find Full Text PDFThe convergent close-coupling method has been used to solve the electron-hydrogen molecule scattering problem in the fixed-nuclei approximation. Excellent agreement with experiment is found for the grand total, elastic, electronic-excitation, and total ionization cross sections from the very low to the very high energies. This shows that for the electronic degrees of freedom the method provides a complete treatment of electron scattering on molecules as it does for atoms.
View Article and Find Full Text PDFPhys Rev E Stat Nonlin Soft Matter Phys
February 2014
To apply spectroscopy as a diagnostic tool for dense plasmas, a theoretical approach to pressure broadening is indispensable. Here, a quantum-statistical theory is used to calculate spectral line shapes of few-electron atoms. Ionic perturbers are treated quasistatically as well as dynamically via a frequency fluctuation model.
View Article and Find Full Text PDFTheoretical confirmation of the experimentally observed phenomenon [Knudsen et al., Phys. Rev.
View Article and Find Full Text PDFThe measurements of the Sherman function in elastic electron-cadmium scattering by Bartsch et al. [J. Phys.
View Article and Find Full Text PDFWe report the development of the fully relativistic convergent close-coupling method based on the solution of the Dirac equation. A complete square-integrable Dirac L-spinor basis is used to obtain a set of target states spanning the target discrete and continuous positive- and negative-energy spectra. The present implementation is for quasi-one-electron atoms whose electronic configuration corresponds to the first column of the periodic table.
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