Related papers: Radiative association of C(${}^3P$) and H${}^+$: T…
We investigate the photodissociation of the metastable triplet state of HeH+ as well as its formation through the inverse process, radiative association. In models of astrophysical plasmas, HeH+ is assumed to be present only in the ground…
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 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 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…
Cross sections and rate coefficients for rovibronic excitation of the CH$^+$ ion by electron impact and dissociative recombination of CH$^+$ with electrons are evaluated using a theoretical approach combining an R-matrix method and…
Radiative charge exchange collisions between a carbon atom C(${}^3$P) and a helium ion He+, both in their ground state, are investigated theoretically. Detailed quantum chemistry calculations are carried out to obtain potential energy…
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…
We present a detailed theoretical study of the rotational excitation of CH$^+$ due to reactive and nonreactive collisions involving C$^+(^2P)$, H$_2$, CH$^+$, H and free electrons. Specifically, the formation of CH$^+$ proceeds through the…
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…
The dynamics of the reaction H + OH $\to$ O (3P) + H2 have been studied in a series of quasi-classical trajectory (QCT) calculations and transition state theory (TST) methods using high quality 3A' and 3A'' potential energy surfaces (PESs).…
Radiative association cross sections and rates are computed, using a quantum approach, for the formation of C$_2$ molecules (dicarbon) during the collision of two ground state C($^3$P) atoms. We find that transitions originating in the…
Photodissociation cross sections for the SH$^+$ radical are computed from all rovibrational (RV) levels of the ground electronic state X$~^3\Sigma^-$ for wavelengths from threshold to 500~\AA. The five electronic transitions, $2~ ^3\Sigma^-…
We have observed short-range photoassociation of LiRb to the two lowest vibrational states of the $d\,^3\Pi$ potential. These $d\,^3\Pi$ molecules then spontaneously decay to vibrational levels of the $a^3\,\Sigma^+$ state with generation…
The article presents calculated dissociative recombination (DR) rate coefficients for H+3 . The previous theoretical work on H+3 was performed using the adiabatic hyperspherical approximation to calculate the target ion vibrational states…
We establish a theoretical model to analyze the photoassociative (PA) spectroscopy of $(3)^3\Sigma^+$ state of $^{85}$Rb$^{133}$Cs molecule. The term energy, spin-spin coupling constants and hyperfine interaction constant of nine…
Rate constants have been measured for the C(3P) + CH3CN reaction between 50 K and 296 K using a continuous-flow supersonic reactor. C(3P) atoms were created by the in-situ pulsed laser photolysis of CBr4 at 266 nm, while the kinetics of…
The cross section for resonant ion-pair formation in the collision of low-energy electrons with HF^+ is calculated by the solution of the time-dependent Schrodinger equation with multiple coupled states using a wave packet method. A…
The first metastable triplet state of HeH$^+$ was found to be present in ion beam experiments, with its lifetime estimated to be between hundreds of milliseconds and thousand of seconds. In this work, we use {\it ab initio} methods to…
We used the multichannel quantum defect theory to compute cross sections and rate coefficients for the dissociative recombination of CH$^+$ initially in its lowest vibrational level $v_i^+ = 0$ with electrons of incident energy bellow $0.2$…
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…