Uncertainty estimates for theoretical atomic and molecular data
Sources of uncertainty are reviewed for calculated atomic and molecular data that are
important for plasma modeling: atomic and molecular structures and cross sections for …
important for plasma modeling: atomic and molecular structures and cross sections for …
Atomic and molecular data for spacecraft re-entry plasmas
R Celiberto, I Armenise, M Cacciatore… - Plasma Sources …, 2016 - iopscience.iop.org
The modeling of atmospheric gas, interacting with the space vehicles in re-entry conditions
in planetary exploration missions, requires a large set of scattering data for all those …
in planetary exploration missions, requires a large set of scattering data for all those …
UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
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 …
scattering code. Key features of the implementation are the use of quantum chemistry codes …
Analysis of RABITT time delays using the stationary multiphoton molecular -matrix approach
We employ the recently developed multiphoton R-matrix method for molecular above-
threshold photoionization to obtain second-order ionization amplitudes that govern the …
threshold photoionization to obtain second-order ionization amplitudes that govern the …
Quantemol electron collisions (QEC): An enhanced expert system for performing electron molecule collision calculations using the R-matrix method
Collisions of low energy electrons with molecules are important for understanding many
aspects of the environment and technologies. Understanding the processes that occur in …
aspects of the environment and technologies. Understanding the processes that occur in …
The ab initio calculation of spectra of open shell diatomic molecules
The spectra (rotational, rotation–vibrational or electronic) of diatomic molecules due to
transitions involving only closed-shell (1 Σ) electronic states follow very regular, simple …
transitions involving only closed-shell (1 Σ) electronic states follow very regular, simple …
[HTML][HTML] Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N2
Multi-state electronic dynamics at higher excitation energies is needed for the understanding
of a variety of energy rich situations, including chemistry under extreme conditions, vacuum …
of a variety of energy rich situations, including chemistry under extreme conditions, vacuum …
Advances in spectroscopy and dynamics of small and medium sized molecules and clusters
M Hochlaf - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
Investigations of the spectroscopy and dynamics of small-and medium-sized molecules and
clusters represent a hot topic in atmospheric chemistry, biology, physics, atto-and femto …
clusters represent a hot topic in atmospheric chemistry, biology, physics, atto-and femto …
Modeling of collision-induced excitation and quenching of atomic nitrogen
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 …
shock-waves, as happens during spacecraft reentry and other high velocity vehicle …
On the energy-specific photodissociation pathways of 14N2 and 14N15N isotopomers to N atoms of different reactivity: a quantum dynamical perspective
Photodissociation of the nitrogen molecule in the vacuum ultraviolet (VUV) is a major source
of reactive nitrogen atoms in the upper atmosphere of Earth and throughout the solar …
of reactive nitrogen atoms in the upper atmosphere of Earth and throughout the solar …