Chung, H-K;
Braams, BJ;
Bartschat, K;
Csaszar, AG;
Drake, GWF;
Kirchner, T;
Kokoouline, V;
(2016)
Uncertainty estimates for theoretical atomic and molecular data.
Journal of Physics D: Applied Physics
, 49
(36)
, Article 363002. 10.1088/0022-3727/49/36/363002.
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Abstract
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 electron-atom, electron-molecule, and heavy particle collisions. We concentrate on model uncertainties due to approximations to the fundamental many-body quantum mechanical equations and we aim to provide guidelines to estimate uncertainties as a routine part of computations of data for structure and scattering.
| Type: | Article |
|---|---|
| Title: | Uncertainty estimates for theoretical atomic and molecular data |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/0022-3727/49/36/363002 |
| Publisher version: | http://dx.doi.org/10.1088/0022-3727/49/36/363002 |
| Language: | English |
| Additional information: | © 2016 IOP Publishing Ltd. Journal of Physics D: Applied Physics. |
| Keywords: | Science & Technology, Physical Sciences, Physics, Applied, Physics, atomic, molecular, ion, and heavy particle collisions, atomic and molecular structure, electron collisions, uncertainty quantification, Electron-impact Ionization, Quantum-defect Theory, Capture Cross-sections, R-matrix Calculations, Low-energy-electron, Vibrational Frame Transformation, Ab-initio Calculations, Dissociative Recombination, Charge-exchange, Intermediate Energies. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1503419 |
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