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arXiv · 1603.05923

Uncertainty Estimates for Theoretical Atomic and Molecular Data

H. -K. Chung·B. J. Braams·K. Bartschat·A. G. Csaszar·G. W. F. Drake·T. Kirchner·V. Kokoouline·J. Tennyson
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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 structure 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.

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H. -K. Chung, B. J. Braams, K. Bartschat, A. G. Csaszar, G. W. F. Drake, T. Kirchner, V. Kokoouline, J. Tennyson. 2016-03-18. Uncertainty Estimates for Theoretical Atomic and Molecular Data. https://doi.org/10.1088/0022-3727/49/36/363002

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