Uncertainty estimates for theoretical atomic and molecular data. (17th August 2016)

• Record Type: Journal Article
• Authors: Chung, H-K; Braams, B J; Bartschat, K; Császár, A G; Drake, G W F; Kirchner, T; Kokoouline, V; Tennyson, J
• Is Part Of: Journal of physics. Volume 49:Number 36(2016)
• Publication Date: 2016-08-17
• Subjects: atomic -- molecular -- ion -- and heavy particle collisions -- atomic and molecular structure -- electron collisions -- uncertainty quantification; Physics -- Periodicals; 530
• DOI: 10.1088/0022-3727/49/36/363002
• Languages: English
• ISSNs: 0022-3727

Abstract

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.