相关论文: Dicarbon formation in collisions of two carbon ato…
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…
Detailed quantum chemistry calculations within the multireference configuration interaction approximation with the Davidson correction (MRCI+Q) are presented using an aug-cc-pV6Z basis set, for the potential energy curves and transition…
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…
Radiative emission during cold collisions between trapped laser-cooled Rb atoms and alkaline-earth ions (Ca$^+$, Sr$^+$, Ba$^+$) and Yb$^+$, and between Li and Yb$^+$, are studied theoretically, using accurate effective-core-potential based…
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…
Photodissociation is one of the main destruction pathways for dicarbon (C$_{2}$) in astronomical environments such as diffuse interstellar clouds, yet the accuracy of modern astrochemical models is limited by a lack of accurate…
The radiative association of C(${}^3P$) and H${}^+$ is investigated by calculating cross sections for photon emission into bound ro-vibrational states of CH${}^+$ from the vibrational continua of initial triplet d$\,{}^3\Pi$ or…
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…
In the present paper the problem of the radiative association of atoms of carbon C with electrons $e^{-}$ for kinetic temperatures $T_{c}$ of $100 < T_{c} < 3000$ K is considered. The calculation of the rate rate constant of the radiative…
A quantum mechanical approach is proposed for the formation of antihydrogen in the ground and excited states (2s, 2p) via the mechanism of three body recombination (TBR) inside a trapped plasma of anti proton and positron or in the…
We study the formation of C$_{18}$H and C$_{18}$H$_2$ by irradiating a cyclo[$18$]carbon molecule with atomic and molecular hydrogen at impact energy, $E$, in the range of 0.5-25 eV. We utilize the density-functional tight-binding method to…
The transition states and dividing surfaces used to find rate constants for bimolecular reactions are shown to undergo qualitative changes, known as Morse bifurcations, and to exist for a large range of energies, not just immediately above…
Radiative association and photodissociation rates are calculated for quadrupole transitions of H2. A complete set of bound and unbound states are included in a self-consistent master equation to obtain steady-state concentrations for a…
We describe a mechanism that explains the formation of hydrocarbons and hydrocarbyls from hydrogenated graphene/graphite; hard C-C bonds are weakened and broken by the synergistic effect of chemisorbed hydrogen and high temperature…
Excited atomic nitrogen atoms play an important role in plasma formation in hypersonic shock-waves, as happens during spacecraft reentry and other high velocity vehicle applications. In this study, we have thoroughly studied collision…
Ultracold collisions between Cs atoms and Cs2 dimers in the electronic ground state are observed in an optically trapped gas of atoms and molecules. The Cs2 molecules are formed in the triplet ground state by cw-photoassociation through the…
We investigate the effect of the dipole-dipole interaction on the quantum jump statistics of three atoms. This is done for three-level systems in a V configuration and in what may be called a D configuration. The transition rates between…
The interaction of carbon atoms with solid carbon monoxide (CO) is a fundamental process in astrochemistry, influencing the formation of complex organic molecules in interstellar environments. This study investigates the adsorption and…
We examine a new mechanism of $e^+e^-$ pair production in $NN$ collisions associated with the $NN$-decoupled dibaryon $d^\star_1$(1956) formation in the process $NN \to \gamma^\star d^\star_1$, where $\gamma^\star$ is the virtual photon…
Reaction rate constants and cross sections are computed for the radiative association of carbon cations ($\text{C}^+$) and fluorine atoms ($\text{F}$) in their ground states. We consider reactions through the electronic transition $1^1\Pi…