Related papers: New theoretical method for calculating the radiati…
We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$_2^+$) by the radiative association process in collisions of a C$(^3P)$ atom and a C$^+(^2P^o)$ ion. Molecular structure calculations for…
We have developed the polyatomic extension of a recently established (M. Gustafsson, J. Chem. Phys, 138, 074308 (2013)) classical theory of radiative association in the absence of electronic transitions. The cross section of the process is…
We illustrate some of the difficulties that may be encountered when computing photodissociation and radiative association cross sections from the same time-dependent approach based on wavepacket propagation. The total and partial…
The formation of $\mbox{O}_2$ by radiative association and by inverse predissociation of ground state oxygen atoms is studied using quantum-mechanical methods. Cross sections, emission spectra, and rate coefficients are presented and…
A first-principle theoretical approach to study the process of radiative electron attachment is developed and applied to the negative molecular ions CN$^-$, C$_4$H$^-$, and C$_2$H$^-$. Among these anions, the first two have already been…
We develop the theory of radiative association of an atom and a diatomic molecule within a close-coupling framework. We apply it to the formation of H$_3^-$ after the low energy collision (below 0.5 eV) of H$_2$ with H$^-$. Using recently…
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…
The non-relativistic cross section from Rayleigh scattering by hydrogen atoms in the ground state is calculated over a wide range of photon energies ($< 0.8$ keV). Evaluations are performed in terms of the real and imaginary components of…
Ultracold collisions of neutral atoms and molecules have been of great interest since experimental advances enabled the cooling and trapping of such species. This study is a theoretical investigation of a low-energy collision between an…
A new method for solving the time-dependent two-center Dirac equation is developed. The time-dependent Dirac wave function is represented as a sum of atomic-like Dirac-Sturm orbitals, localized at the ions. The atomic orbitals are obtained…
Radiative association processes leading to the formation of AgH in cold astrophysical environments are investigated for the first time using full quantum scattering theory. High accuracy potential energy curves and transition dipole moments…
The matrix elements and energies needed to calculate vibrational-rotational state resolved cross sections and rate coefficients for radiative association of H and p and for photodissociation of H${}_2^+$ are presented for applications to…
The photoionization spectrum of an atom in a magnetic field is calculated by combining R-matrix propagation with local adiabatic basis expansions. This approach considerably increases the speed and the energy range over which calculations…
The calculation of partial two-photon ionization cross sections in the above-threshold energy region is discussed in the framework of exterior complex scaling. It is shown that with a minor modification of the usual procedure, which is…
The hydroxyl radical, OH, is an important component of many natural and technological plasmas but there is little available information on processes involving its collisions with low-energy electrons. Low-energy electron collisions with OH…
The creation of ultracold molecules is currently limited to diatomic species. In this letter we present a theoretical description of the photoassociation of ultracold atoms and molecules to create ultracold excited triatomic molecules, thus…
New approach to highly accurate calculations of the photodetachment cross-sections of the negatively charged hydrogen ions is developed. This effective, fast and numerically stable method is based on the use of the Rayleigh's formula for…
A semicalssical method based on surface-hopping techniques is developed to model the dynamics of radiative association with electronic transitions in arbitrary polyatomic systems. It can be proven that our method is an extension of the…
A theoretical model is proposed for the formation of ultracold ground-state triatomic molecules in weakly bound energy levels. The process is driven by the electric component of a microwave field, which induces the association of an…
The charge transfer in low energy (0.25 to 150 eV/amu) H($nl$) + He$^+(1s)$ collisions is investigated using a quasi-molecular approach for the $n=2,3$ as well as the first two $n=4$ singlet states. The diabatic potential energy curves of…