Uncertainty estimates for theoretical atomic and molecular data

HK Chung, BJ Braams, K Bartschat… - Journal of Physics D …, 2016 - iopscience.iop.org
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 …

Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born–Oppenheimer breakdown corrections

JR Reimers, LK McKemmish, RH McKenzie… - Physical Chemistry …, 2015 - pubs.rsc.org
Using a simple model Hamiltonian, the three correction terms for Born–Oppenheimer (BO)
breakdown, the adiabatic diagonal correction (DC), the first-derivative momentum non …

Calculations of the integrated cross sections in dressed carbon-ion collisions with atomic hydrogen

NW Antonio, CT Plowman, IB Abdurakhmanov… - Physical Review A, 2024 - APS
The two-center wave-packet convergent close-coupling approach is extended to model
dressed ion collisions with atomic hydrogen. This is done by reducing the problem to an …

Charge exchange in X-ray astrophysics

L Gu, C Shah - High-Resolution X-ray Spectroscopy: Instrumentation …, 2023 - Springer
Charge exchange is an atomic process that primarily occurs at interfaces between the
neutral and ionized gas. The study of the process has been carried out on three levels: the …

Two-Center Basis Generator Method Calculations for Li3+, C3+ and O3+ Ion Impact on Ground State Hydrogen

ACK Leung, T Kirchner - Atoms, 2022 - mdpi.com
The two-center basis generator method is used to obtain cross sections for excitation,
capture, and ionization in Li 3+, C 3+, and O 3+ collisions with ground-state hydrogen at …

Calculation of total cross sections for electron capture in collisions of Carbon ions with H (D, T)(1s)

LF Errea, C Illescas, A Jorge, L Méndez… - Journal of Physics …, 2015 - iopscience.iop.org
The calculations of total cross sections of electron capture in collisions of C q+ with H (1s)
are reviewed. At low collision energies, new calculations have been performed, using …

Electron capture in collisions of ions with atomic hydrogen from low to intermediate energies

CH Liu, L Liu, JG Wang - Physical Review A, 2014 - APS
The electron capture process for the Si 3+(3 s)+ H (1 s) collisions is investigated by the
quantum-mechanical molecular orbital close-coupling (MOCC) method and by the two …

Electron nuclear dynamics with plane wave basis sets: complete theory and formalism

ES Teixeira, JA Morales - Theoretical chemistry accounts, 2020 - Springer
Electron nuclear dynamics (END) is an ab initio quantum dynamics method that adopts a
time-dependent, variational, direct, and non-adiabatic approach. The simplest-level (SL) …

Charge exchange in slow collisions of Si3+ with hydrogen atom: Molecular-orbital close-coupling approaches in the adiabatic representation

DC Joseph, BC Saha - Advances in Quantum Chemistry, 2021 - Elsevier
We have investigated the process of single-electron transfer from the H atoms to the incident
Si 3+ in the low energy region (0.1≤ E≤ 5.0 keV/u) to determine the significance of …

Division XII/Commission 14/Working Group Collision Processes

G Peach, MS Dimitrijevic, PC Stancil - Proceedings of the …, 2008 - cambridge.org
Research in atomic and molecular collision processes and spectral line broadening has
been very active since our last report (Schultz & Stancil 2007, Allard & Peach 2007). Given …