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Joint IAEA-ITAMP Technical Meeting on Uncertainty Assessment for

Theoretical Atomic and Molecular Scattering Data

Cambridge, Massachusetts, USA

7-9 July 2014

Organized by the International Atomic Energy Agency (IAEA) and

Institute of Theoretical Atomic, Molecular and Optical Physics (ITAMP) at Harvard-Smithsonian Center for Astrophysics

Organizers: H. Sadeghpour, J. F. Babb, K. Bartschat, J. Tennyson, D. R. Schultz, H.-K. Chung, B. J. Braams

The workshop brings together a number of people who are working on electron collisions with atoms, ions, and molecules, heavy-particle collisions, and electronic structure of atoms and molecules (with structure viewed here as a prerequisite for collision calculations). The primary goals are to come up with reasonable uncertainty estimates for calculations using the various methods of collision physics: perturbative, nonperturbative, time-independent, time-dependent, semi-classical, etc. Generally, the workshop focus will be on theoretical atomic and molecular data relevant to fusion and astrophysical plasmas, where modeling codes mostly use theoretical atomic and molecular data for which assessments of their accuracy are necessary. There will also be data users at the meeting, as well as some who manage databases.

Abstracts and ITAMP workshop information

Background information on IAEA data evaluation activities


Monday, July 7, 2014

8:30AM Registration

Session I - Chair: Jim Babb

9:00AM 9:05AM Welcome (ITAMP)

9:05AM 9:20AM Hyun-Kyung Chung (IAEA), "Meeting Objective"

9:20AM 10:00AM Gordon Drake, "Uncertainty Estimates: A new Editorial Standard"

10:00AM 10:40AM Tom Kirchner, " Heavy-particle collisions involving many active electrons: how (in-)accurate are our calculated cross sections?"

11:10AM 11:50AM Predrag Krstic, "Sensitivity, Error and Uncertainty Quantification: Interfacing Models at Different Scales"

11:50AM 12:30PM Luis Mendez, "Uncertainties of electron capture cross sections in Be4+ + H( 1s) collisions"

Session II - Chair: Klaus Bartschat

2:00PM 2:40PM Conner P. Ballance,"The propagation of correlated uncertainties from theoretical collisional calculations through to plasma spectral diagnostics"

2:40PM 3:20PM James Colgan,"Time Dependent Close Coupling Methods for Electron Atom/Molecule Scattering"

3:50PM 4:30PM Al Stauffer, "An Evaluation of the Accuracy of the Relativistic Distorted Wave Approximation for the Calculation of Cross Sections for the Excitation of Atoms by Electron Impact"

4:30PM 5:10PM Oleg Zatsarinny, "Benchmark calculations for electron collisions with complex atoms"

5:10PM 5:50 PM Dmitry Fursa,"Convergent Close Coupling Calculations for ElectronAtom /Molecule Scattering"

6:00PM Reception (Perkin Lobby)

Tuesday, July 8, 2014

Session III - Chair: Jonathan Tennyson

8:30AM 8:50AM David Schultz, "Heavy Particle Collisions"

8:50AM 9:30AM Heavy particle Discussion, Discussion Leader:David Schultz

9:30AM 10:10AM Attila Csaszar, "Uncertainties of Molecular Structural Parameters"

10:40AM 11:20AM Daniel Haxton, "Calculation of dissociative electron attachment cross sections"

11:20AM 12:00PM Jimena D. Gorfinkiel, "Calculations of electronmolecule scattering cross sections using the Rmatrix method"

12:00PM 12:40PM Robert Lucchese,"Electron Collisions with Molecular Ions"

Session IV - Chair: James Colgan

1:40PM 2:20PM Karel Houfek, "Uncertainties in calculations of low-energy resonant electron collisions with diatomic molecules"

2:20PM3:00PM Marco Lima, "Low energy electron scattering data for chemical plasma treatment of biomass"

3:00PM 3:40PM Viatcheslav Kokoouline, "Development of a procedure for the uncertainty evaluation in theoretical calculations of cross sections and rate coefficients"

Wednesday, July 9, 2014

Session V: Chair Hyun-Kyung Chung

8:30AM 9:10AM Detlev Reiter,"Status of database and data analysis for fusion edge plasma transport studies"

9:10AM 9:50AM Yuri Ralchenko,"Data quality and needs for collisionalradiative modeling"

9:50AM 10:10AM Alex Kramida, "Assessing Uncertainties of Theoretical Atomic Transition Probabilities with Monte Carlo Random Trials"

10:40AM 11:20AM e-Atom Discussion, Discussion Leader: Klaus Bartschat

11:20AM 12:00PM e-Molecule Discussion, Discussion Leader : Jonathan Tennyson

12:00PM 12:20PM IAEA Discussion and Conclusions, Hyun-Kyung Chung

2:00PM 4:00PM Time for open or follow-on discussions