Papers 471
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#1Yang WangH-Index: 5
Last. Klaus BartschatH-Index: 51
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The Dirac B-spline R-matrix (DBSR) method is employed to treat low-energy electron collisions with thallium atoms. Special emphasis is placed on spin polarization phenomena that are investigated through calculations of the differential cross-section and the spin asymmetry function. Overall, good agreement between the present calculations and the available experimental measurements is found. The contributions of electron exchange to the spin asymmetry cannot be ignored at low impact energies, whi...
Beam-foil EUV spectra of elements from Na through Cl are presented, partly in survey spectra and partly in detail spectra. The ionization stages of interest are medium to high, so that three to thirteen electrons remain. Research topics are outlined and the problems of the measurement technique discussed.
We report on an extensive semi-empirical analysis of scattering cross-sections for electron elastic collision with noble gases via the Markov Chain Monte Carlo-Modified Effective Range Theory (MCMC−MERT). In this approach, the contribution of the long-range polarization potential (∼r−4) to the scattering phase shifts is precisely expressed, while the effect of the complex short-range interaction is modeled by simple quadratic expression (the so-called effective range expansion with several adjus...
The paper presents an analysis of data on the cross sections of electron impact ionization of atoms of alkali metals, hydrogen, noble gases, some transition metals and Al, Fe, Ni, W, Au, Hg, U. For the selected sets of experimental and theoretical data, an optimal analytical formula is found and approximation coefficients are calculated. The obtained semi-empirical formula reproduces the values of the ionization cross sections in a wide range of energies with an accuracy of the order of error of...
#1Maya KhatunH-Index: 2
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We have explored the chemical space of BAl4Mg−/0/+ for the first time and theoretically characterized several isomers with interesting bonding patterns. We have used chemical intuition and a cluster building method based on the tabu-search algorithm implemented in the Python program for aggregation and reaction (PyAR) to obtain the maximum number of possible stationary points. The global minimum geometries for the anion (1a) and cation (1c) contain a planar tetracoordinate boron (ptB) atom, wher...
Many-body physics poses one of the greatest challenges to science in the 21st century. Still more daunting is the problem of accurately calculating the properties of quantum many-body systems in the strongly correlated regime. Cold atomic gases provide an excellent test ground, for both experimentalists and theorists, to study the exotic and sometimes counterintuitive behavior of quantum many-body problems. Of particular interest is the appearance of collective excitations in these systems, such...
The approximate solution of the nonlinear Thomas–Fermi (TF) equation for ions is found by the Fermi method. The solution is based on the new asymptotic representation of the TF ion size valid for any ionization degree. The two universal functions and their derivatives, introduced by Fermi, are calculated by recent effective algorithms for the Emden–Fowler type equations with the accuracy sufficient for majority of applications. The comparison of our results with those obtained previously shows h...
Polarizabilities and hyperpolarizabilities, α1, β1, γ1, α2, β2, γ2, α3, β3, γ3, δ and e of hydrogenic systems have been calculated in the presence of a Debye–Huckel potential, using pseudostates for the S, P, D and F states. All of these converge very quickly as the number of terms in the pseudostates is increased and are essentially independent of the nonlinear parameters. All the results are in good agreement with the results obtained for hydrogenic systems obtained by Drachman. The effective ...
#1Sebastian MohrH-Index: 10
#2Maria TudorovskayaH-Index: 5
Last. Jonathan TennysonH-Index: 107
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Gathering data on electron collisions in plasmas is a vital part of conducting plasma simulations. However, data on neutral radicals and neutrals formed in the plasma by reactions between different radicals are usually not readily available. While these cross-sections can be calculated numerically, this is a time-consuming process and it is not clear from the outset which additional cross-sections are needed for a given plasma process. Hence, identifying species for which additional cross-sectio...
The B-spline R-matrix method has been used to investigate cross-sections for photoionization of neutral scandium from the ground and excited states in the energy region from the 3d and 4s valence electron ionization thresholds to 25 eV. The initial bound states of Sc and the final residual Sc+ ionic states have been accurately calculated by combining the multiconfiguration Hartree-Fock method with the frozen-core close-coupling approach. The lowest 20 bound states of Sc I belonging to the ground...
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