相关论文: Low-energy Electron collisions with O$_2$: Test of…
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 present study presents a comprehensive theoretical investigation of atom and asymmetric top molecule inelastic scattering based on the R-matrix formalism. The proposed methodology establishes a rigorous framework for treating inelastic…
Multiple scattering theory is applied to low-energy electron collisions with a complex target formed of two molecular scatterers. The total T-matrix is expressed in terms of the T-matrix for each isolated molecule. We apply the approach to…
Low-energy electron collisions with O$_2$ molecules are studied using the fixed-bond R-matrix method. In addition to the O$_2$ ${X}^3\Sigma_{g}^-$ ground state, integrated cross sections are calculated for elecron collisions with the…
Low-energy electron impact excitations of N$_2$ molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Thirteen target electronic states of N$_2$ are included in the model…
Techniques for producing cold and ultracold molecules are enabling the study of chemical reactions and scattering at the quantum scattering limit, with only a few partial waves contributing to the incident channel, leading to the…
Electron-atom collisions in warm dense plasmas are crucial for astrophysics and controlled fusion research, where calculating short-range scattering matrices under screening plasma potentials is essential. While electron-neutral atom…
Experiments are starting to probe collisions and chemical reactions between atoms and molecules at ultra-low temperatures. We have developed a new theoretical procedure for studying these collisions using the R-matrix method. Here this…
The R-matrix method has been used for theoretical calculation of electron collision with atoms and molecules for long years. The method was also formulated to treat photoionization process, however, its application has been mostly limited…
Electron-molecule collisions play a central role in both natural processes and modern technological applications, particularly in plasma processing. Conventional computational strategies such as the R-matrix method have been widely adopted…
Differential cross sections for electron collisions with the O$_2$ molecule in its ground ${X}^{3}\Sigma_g^-$ state, as well as excited ${a}^{1}\Delta_g$ and ${b}^{1}\Sigma_g^+$ states are calculated. As previously, the fixed-bond R-matrix…
We present an experimental study on the rotational inelastic scattering of OH ($X^2\Pi_{3/2}, J=3/2, f$) radicals with He and D$_2$ at collision energies between 100 and 500 cm$^{-1}$ in a crossed beam experiment. The OH radicals are state…
The experimental characterization of scattering resonances in low energy collisions has proven to be a stringent test for quantum chemistry calculations. Previous measurements on the NO-H$_2$ system at energies down to $10$ cm$^{-1}$…
The R-matrix method is a fully-quantum time-independent scattering method, used to simulate nuclear, electron-atom, electron-ion, electron-molecule scattering and more. Here, a novel R-matrix method, RmatReact, is presented as applied to…
An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…
Low-energy electron impact excitations of S_2 molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Integral cross sections are calculated for elastic electron collision as…
Results for elastic atom-atom scattering are obtained as a first practical application of RmatReact, a new code for generating high-accuracy scattering observables from potential energy curves. RmatReact has been created in response to new…
Calculations are presented which use the molecular R-matrix with pseudo-states (MRMPS) method to treat electron impact electron detachment and electronic excitation of the carbon dimer anion. Resonances are found above the ionisation…
Accurately modelling cold and ultracold reactive collisions occuring over deep potential wells, such as \ce{D+ + H2 -> H+ + HD}, requires the development of new theoretical and computational methodologies. One potentially useful framework…
R-matrix calculations on electron collisions with CO are reported whose aim is to identify any higher-lying resonances above the well-reported and lowest $^2\Pi$ resonance at about 1.6~eV. Extensive tests with respect to basis sets, target…