Bulletin of the American Physical Society
74th Annual Gaseous Electronics Conference
Volume 66, Number 7
Monday–Friday, October 4–8, 2021;
Virtual: GEC Platform
Time Zone: Central Daylight Time, USA
Session PR23: AMP Gateway and Electron Collisions
10:15 AM–12:30 PM,
Thursday, October 7, 2021
Room: GEC platform
Chair: Robin Cote, University of Massachusetts Boston
Abstract: PR23.00002 : B-Spline Atomic R-Matrix Calculations on the AMPGateway*
10:45 AM–11:15 AM
Kathryn R. Hamilton
Kathryn R. Hamilton
Klaus R Bartschat
Improvements over the original incarnation of the R-matrix method include: 1) a B-spline basis for the radial functions, thus enhancing the range and accuracy of the original R-matrix method, and 2) a set of non-orthogonal bound and continuum orbitals enabling high accuracy to be achieved with compact configuration expansions. These improvements allow BSR to describe complex systems, e.g., electron scattering from heavy noble gases. The BSR code has also been adapted to study time-dependent electron dynamics such as attosecond photoionization delays and extended to treat fully-relativistic coupling schemes. See  for a comprehensive overview of the BSR method and its applications.
The BSR code has recently become available on the AMPGateway [4,5], an online portal containing some of the world's foremost atomic and molecular physics applications. The AMPGateway enables users to carry out full-scale BSR calculations without having to install the source code or apply for the computing resources necessary to carry out large calculations. I will briefly demonstrate how to carry out BSR calculations via the AMPGateway interface.
 O. Zatsarinny, Comp. Phys. Commun. 174, 273 (2006)
 P. G. Burke, "R-Matrix Theory of Atomic Collisions", Springer Series on Atomic, Optical, and Plasma Physics, Vol. 61 (Springer-Verlag, 2011)
 O. Zatsarinny and K. Bartschat, J. Phys. B 46, 112001 (2013)
 B. I. Schneider et al. PEARC ’20: Practice and Experience in Advanced Research Computing (2020) 270
*This work was supported by the United States National Science Foundation under PHY-1803844, PHY-2012078, OAC-1834740, and XSEDE PHY-090031, and the Frontera Pathways allocation PHY20028.
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