Electron–molecule collision calculations using the R-matrix method

J Tennyson - Physics Reports, 2010 - Elsevier
The R-matrix method is an embedding procedure which is based on the division of space
into an inner region where the physics is complicated and an outer region for which greatly …

Dissociative recombination of N2+, O2+, and NO+: Rate coefficients for ground state and vibrationally excited ions

CH Sheehan, JP St.‐Maurice - Journal of Geophysical …, 2004 - Wiley Online Library
We review recent advances in the study of the dissociative recombination of molecular ions
with electrons with a primary emphasis on experimental studies. In particular, we focus on …

UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method

Z Mašín, J Benda, JD Gorfinkiel, AG Harvey… - Computer Physics …, 2020 - Elsevier
UKRmol+ is a new implementation of the time-independent UK R-matrix electron–molecule
scattering code. Key features of the implementation are the use of quantum chemistry codes …

The UK molecular R-matrix codes

LA Morgan, J Tennyson, CJ Gillan - Computer physics communications, 1998 - Elsevier
The R-matrix method has been used with great success in recent years to model low energy
scattering of electrons and positrons by molecules. The codes, developed by a consortium of …

R-matrix calculation of Rydberg states of CO

J Tennyson - Journal of Physics B: Atomic, Molecular and Optical …, 1996 - iopscience.iop.org
Valence and Rydberg bound states of CO are studied ab initio using the UK molecular R-
matrix code and electron-scattering calculations. Results are presented for singlet and triplet …

Dissociative recombination of : An ab initio study

DA Little, K Chakrabarti, JZ Mezei, IF Schneider… - Physical Review A, 2014 - APS
Cross sections for the dissociative recombination of N 2+ for vi+= 0–3 are computed using
multichannel quantum defect theory with molecular data generated using the R-matrix …

Dissociative recombination of NO+: calculations and comparison with experiment

IF Schneider, I Rabadán, L Carata… - Journal of Physics B …, 2000 - iopscience.iop.org
Multichannel quantum defect calculations for NO+ dissociative recombination (DR) for
electron energies from threshold to 8 eV are presented. The calculations use electronic …

A time-dependent quantum approach to dissociative recombination, associative ionization, and Penning ionization

D Yang, H Guo - The Journal of Chemical Physics, 2023 - pubs.aip.org
A time-dependent wave packet method is introduced for calculating the integral and
differential cross sections for the dissociative recombination (DR), associative ionization (AI) …

An ab initio study of singlet and triplet Rydberg states of N2

DA Little, J Tennyson - Journal of Physics B: Atomic, Molecular …, 2013 - iopscience.iop.org
Potential energy curves for electronically excited states of molecular nitrogen are calculated
using three different ab initio procedures. The most comprehensive of these involves the use …

Reactive collisions between electrons and NO+ ions: rate coefficient computations and relevance for the air plasma kinetics

O Motapon, M Fifirig, A Florescu… - Plasma Sources …, 2005 - iopscience.iop.org
Extensive calculations of the rate coefficients for dissociative recombination (DR), elastic
collisions, inelastic collisions (ICs) and superelastic collisions of NO+ ions on initial …