73rd Annual Gaseous Electronics Virtual Conference
Volume 65, Number 10
Monday–Friday, October 5–9, 2020;
Time Zone: Central Daylight Time, USA.
Session XF1: Perspective in Current Trends and Future of Plasma Science II
9:45 AM–11:15 AM,
Friday, October 9, 2020
Chair: Kentaro Hara, Stanford University
Abstract: XF1.00001 : Atomic and Molecular Collision Data for Plasma Science*
9:45 AM–10:15 AM
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Abstract
Author:
Klaus Bartschat
(Drake University)
Accurate data for electron and heavy-particle
collisions with atoms, ions, and molecules are required for
many modelling applications in plasma science. Depending on
the particular application and the electron or ion temperature in
the plasma, the energy range of the projectile may cover a very
large range, from a few meV to many MeV. \\
Since it is virtually impossible to
measure all the data needed for state-of-the-art collisional radiative models
(CRMs), much of the responsibility for generating sufficiently comprehensive
datasets has been put on theory. There is a vast variety of methods available
to generate the data, ranging from classical to semi-classical to fully quantal approaches,
with the latter based on the first- and sometimes second-order plane-wave or distorted-wave
Born approximation as well as non-perturbative close-coupling methods that can be systematically driven to
convergence for relatively simple collision problems. For complex targets, such
as large molecules, often only comparatively simple methods are available, but then
the total (integrated over all scattering angles) cross sections or even rate coefficients
(integrated over the collision energies with some prescribed weight function) are
usually required. Clearly, estimating the uncertainty in such calculations is essential, as
discussed in detail in Ref.~[1]. It is worth noting that experimental data, too, have
uncertainties. Especially when it comes to absolute cross sections, these uncertainties
may be difficult to quantify, certainly more difficult than, for example, the relative
energy or angular dependence of a particular cross section.\\
For some of these methods, computer codes of vastly varying complexity are publicly available.
In all but the simplest cases, running these codes is far from trivial for non-experts.
Hence, many databases exist around the world, in which the original data (energy levels,
oscillator strengths, cross sections) are stored and utility codes are provided to extract the data
and perform calculations of the parameters of interest for the modeler. One of many such databases is
LXCat~[2], which is widely used for modelling electron collisions in low-temperature plasmas.\\
In this contribution, I will give a (necessarily incomplete) overview of what is currently available,
both regarding the methods and the resulting data. Recently, the idea of machine-learning to
generate new data from and/or assess the accuracy of existing datasets has been put forward.
Time permitting, I may discuss some of these ideas. \\
~[1] H.K. Chung {\it et al.}, Journal of Physics D {\bf 49} (2016) 363002.
[2] https://us.lxcat.net/home/
*This work is supported by the NSF under grants PHY-1803844 and OAC-1834740, and by the XSEDE allocation TG-PHY090031. The author gratefully acknowledges the contributions by Dr. Oleg Zatsarinny and Dr. Kathryn R. Hamilton.