Uncertainty estimates for theoretical atomic and molecular data

H. K. Chung, B. J. Braams, K. Bartschat, A. Császár, G. W F Drake, T. Kirchner, V. Kokoouline, J. Tennyson

Research output: Contribution to journalReview article

43 Citations (Scopus)

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.

Original languageEnglish
Article number363002
JournalJournal of Physics D: Applied Physics
Volume49
Issue number36
DOIs
Publication statusPublished - Aug 17 2016

Keywords

  • and heavy particle collisions
  • atomic
  • atomic and molecular structure
  • electron collisions
  • ion
  • molecular
  • uncertainty quantification

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Acoustics and Ultrasonics
  • Surfaces, Coatings and Films

Fingerprint Dive into the research topics of 'Uncertainty estimates for theoretical atomic and molecular data'. Together they form a unique fingerprint.

  • Cite this

    Chung, H. K., Braams, B. J., Bartschat, K., Császár, A., Drake, G. W. F., Kirchner, T., Kokoouline, V., & Tennyson, J. (2016). Uncertainty estimates for theoretical atomic and molecular data. Journal of Physics D: Applied Physics, 49(36), [363002]. https://doi.org/10.1088/0022-3727/49/36/363002