Related papers: Radiative association of atomic and ionic carbon
The low-temperature (up to about 100K) collisional (de)excitation cross sections are computed using the full coupled-channel (CC) quantum dynamics for both Li$_2$ and Li$_2^+$ molecular targets in collision with $^4$He. The interaction…
The first complete set of unified cross sections and rate coefficients are calculated for photoionization and recombination of He- and Li-like ions using the relativistic Breit-Pauli R-matrix method. We present total, unified (e + ion)…
We present a theoretical investigation of cold reactive and non-reactive collisions of Li and Rb atoms with C$_{2}^{-}$. The potential energy surfaces for the singlet and triplet states of the Li--C$_{2}^{-}$ and Rb--C$_{2}^{-}$ systems…
Calculations are performed for electron collision with the methylene molecular ion CH$_2^+$ in its bent equilibrium geometry, with the goal to obtain cross sections for electron impact excitation and dissociation. The polyatomic version of…
We present a study on ion-atom-atom reaction A+A+B$^+$ in a wide range of systems and collision energies ranging from 100$~\mu$K to 10$^5~$K, analyzing the two possible products: molecules and molecular ions. The dynamics is performed via a…
A new database of collisional rate coefficients for transitions between the rotational states of H$_2$O collided with H$_2$ background gas is developed. The goal is to expand over the other existing databases in terms of the rotational…
Kinetic energy and angular distributions of O$^-$ ions formed by dissociative electron attachment to CO molecule have been studied for 9, 9.5, 10, 10.5, 11, 11.5 eV incident electron energies around the resonance using time sliced velocity…
A methodology is developed to compute photoionization cross-sections beyond the electric dipole (BED) approximation from response theory, using Gaussian type orbitals and plane waves for the initial and final states, respectively. The…
Molecular ions formed in cold hybrid ion-atom experiments may find interesting applications ranging from precision measurements to controlled chemical reactions. Here, we investigate electronic structure of the Sr$_2^+$ molecular ion, which…
A close coupling quantum-mechanical calculation is performed for rotational energy transfer in a HD+HD collision at very low energy, down to the ultracold temperatures: $T \sim 10^{-8}$ K. A global six-dimensional H$_2$-H$_2$ potential…
We aim to obtain accurate rate coefficients for the collisional excitation of CH+ by He for high gas temperatures. The ab initio coupled-cluster [CCSD(T)] approximation was used to compute the interaction potential energy. Cross sections…
Using time-dependent density functional theory (tdDFT) with exchange kernels we calculate and test imaginary frequency-dependent dipole polarizabilities for all atoms and many ns in rows 1-6 of the periodic table. These are then integrated…
The c(6x2) is a reconstruction of the SrTiO3(001) surface that is formed between 1050-1100oC in oxidizing annealing conditions. This work proposes a model for the atomic structure for the c(6x2) obtained through a combination of results…
We report pressure broadening coefficients for the 21 electric-dipole transitions between the eight lowest rotational levels of ortho-H$_2$O and para-H$_2$O molecules by collisions with He at temperatures from 20 to 120 K. These…
Inelastic collisions and elementary chemical reactions proceeding through the formation and subsequent decay of an intermediate collision complex, with an associated deep well on the potential energy surface, pose a challenge for accurate…
Results for energy levels, radiative rates and electron impact excitation (effective) collision strengths for transitions in Be-like Cl XIV, K XVI and Ge XXIX are reported. For the calculations of energy levels and radiative rates the…
The relations between photoionization cross sections and photon radius are obtained on basis of quantum mechanics and the particle-like properties of a photon. The photoionization cross sections of H atom and H-like ions, He atom and He…
Cooperative effects in the fluorescence of two dipole-interacting atoms, with macroscopic quantum jumps (light and dark periods), are investigated. The transition rates between different intensity periods are calculated in closed form and…
Energy levels, radiative rates and lifetimes are reported for 19 F-like ions with 55 $\le$ Z $\le$ 73, among 113 levels of the 2s$^2$2p$^5$, 2s2p$^6$, 2s$^2$2p$^4$3$\ell$, 2s2p$^5$3$\ell$, and 2p$^6$3$\ell$ configurations. The…
In 1954, Vogt and Wannier (Phys. Rev. 95, 1190) predicted that the capture rate of a polarizable neutral atom or molecule by an ion should increase by a factor of two compared to the classical Langevin rate as the collision energy…