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Register a new userExcitation and charge transfer in low-energy hydrogen atom collisions with neutral carbon and nitrogen
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Low-energy inelastic collisions with neutral hydrogen atoms are important processes in stellar atmospheres, and a persistent source of uncertainty in non-LTE modelling of stellar spectra. We have calculated and studied excitation and charge transfer of C i and of N i due to such collisions. We used a previously presented method that is based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions for the adiabatic potential energies, combined with the multichannel Landau-Zener model for the collision dynamics. We find that charge transfer processes typically lead to much larger rate coefficients than excitation processes do, consistent with studies of other atomic species. Two-electron processes were considered and lead to non-zero rate coefficients that can potentially impact statistical equilibrium calculations. However, they were included in the model in an approximate way, via an estimate for the two-electron coupling that was presented earlier in the literature: the validity of these data should be checked in a future work.
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Data for inelastic processes due to hydrogen atom collisions with manganese and titanium are needed for accurate modeling of the corresponding spectra in late-type stars. In this work excitation and charge transfer in low-energy Mn+H and Ti+H collisions have been studied theoretically using a method based on an asymptotic two-electron linear combination of an atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model to treat the dynamics. Extensive calculations of charge transfer (mutual neutralization, ion-pair production), excitation and de-excitation processes in the two collisional systems are carried out for all transitions between covalent states dissociating to energies below the first ionic limit and the dominating ionic states. Rate coefficients are determined for temperatures in the range 1000 - 20 000 K in steps of 1000 K. Like for earlier studies of other atomic species, charge transfer processes are found to lead to much larger rate coefficients than excitation processes.
A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent interactions in the neutral atom-hydrogen atom system, is presented. The calculation of potentials and non-adiabatic radial couplings using the method is demonstrated. The potentials are used together with the multi-channel Landau-Zener model to calculate cross sections and rate coefficients. The main feature of the method is that it employs asymptotically exact atomic wavefunctions, which can be determined from known atomic parameters. The method is applied to Li+H, Na+H, and Mg+H collisions, and the results compare well with existing detailed full-quantum calculations. The method is applied to the astrophysically important problem of Ca+H collisions, and rate coefficients are calculated for temperatures in the range 1000-20000 K.
Depolarizing collisions are elastic or quasielastic collisions that equalize the populations and destroy the coherence between the magnetic sublevels of atomic levels. In astrophysical plasmas, the main depolarizing collider is neutral hydrogen. We consider depolarizing rates on the lowest levels of neutral and singly ionized alkaly-earths Mg I, Sr I, Ba I, Mg II, Ca II, and Ba II, due to collisions with H. We compute ab initio potential curves of the atom-H system and solve the quantum mechanical dynamics. From the scattering amplitudes we calculate the depolarizing rates for Maxwellian distributions of colliders at temperatures T <10000 K. A comparative analysis of our results and previous calculations in the literature is done. We discuss the effect of these rates on the formation of scattering polarization patterns of resonant lines of alkali-earths in the solar atmosphere, and their effect on Hanle effect diagnostics of solar magnetic fields.
Electronic and vibrational degrees of freedom in atom-cluster collisions are treated simultaneously and self-consistently by combining time-dependent density functional theory with classical molecular dynamics. The gradual change of the excitation mechanisms (electronic and vibrational) as well as the related relaxation phenomena (phase transitions and fragmentation) are studied in a common framework as a function of the impact energy (eV...MeV). Cluster transparency characterized by practically undisturbed atom-cluster penetration is predicted to be an important reaction mechanism within a particular window of impact energies.
The previously developed technique for evaluation of charge-transfer and electron-excitation processes in low-energy heavy-ion collisions [I.I. Tupitsyn et al., Phys. Rev. A 82, 042701(2010)] is extended to collisions of ions with neutral atoms. The method employs the active electron approximation, in which only the active electron participates in the charge transfer and excitation processes while the passive electrons provide the screening DFT potential. The time-dependent Dirac wave function of the active electron is represented as a linear combination of atomic-like Dirac-Fock-Sturm orbitals, localized at the ions (atoms). The screening DFT potential is calculated using the overlapping densities of each ions (atoms), derived from the atomic orbitals of the passive electrons. The atomic orbitals are generated by solving numerically the one-center Dirac-Fock and Dirac-Fock-Sturm equations by means of a finite-difference approach with the potential taken as the sum of the exact reference ion (atom) Dirac-Fock potential and of the Coulomb potential from the other ion within the monopole approximation. The method developed is used to calculate the K-K charge transfer and K-vacancy production probabilties for the Ne$(1s^2 2s^2 2p^6)$ -- F$^{8+}(1s)$ collisions at the F$^{8+}(1s)$ projectile energies 130 keV/u and 230 keV/u. The obtained results are compared with experimental data and other theoretical calculations. The K-K charge transfer and K-vacancy production probabilities are also calculated for the Xe -- Xe$^{53+}(1s)$ collision.
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