Uncertainty estimates for theoretical atomic and molecular data

被引：70

作者：

Chung, H-K ^{[1
]}

Braams, B. J. ^{[1
]}

Bartschat, K. ^{[2
]}

Csaszar, A. G. ^{[3
]}

Drake, G. W. F. ^{[4
]}

Kirchner, T. ^{[5
]}

Kokoouline, V. ^{[6
]}

Tennyson, J. ^{[7
]}

机构：

[1] IAEA, Nucl Data Sect, A-1400 Vienna, Austria

[2] Drake Univ, Dept Phys & Astron, Des Moines, IA 50311 USA

[3] MTA ELTE Complex Chem Syst Res Grp, Pazmany Setany 1-A, H-1118 Budapest, Hungary

[4] Univ Windsor, Dept Phys, Windsor, ON N9B 3P4, Canada

[5] York Univ, Dept Phys & Astron, Toronto, ON M3J 1P3, Canada

[6] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA

[7] UCL, Dept Phys & Astron, London WC1E 6BT, England

来源：

JOURNAL OF PHYSICS D-APPLIED PHYSICS | 2016年 / 49卷 / 36期

基金：

加拿大自然科学与工程研究理事会; 美国国家科学基金会;

关键词：

atomic; molecular; ion; and heavy particle collisions; atomic and molecular structure; electron collisions; uncertainty quantification; ELECTRON-IMPACT EXCITATION; CAPTURE CROSS-SECTIONS; R-MATRIX CALCULATIONS; LOW-ENERGY-ELECTRON; VIBRATIONAL FRAME TRANSFORMATION; QUANTUM-DEFECT THEORY; AB-INITIO; DISSOCIATIVE RECOMBINATION; CHARGE-EXCHANGE; TRANSITION-PROBABILITIES;

D O I：

10.1088/0022-3727/49/36/363002

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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.

引用

页数：27

共 230 条

[1] Accurate solution of the proton-hydrogen three-body scattering problem [J].