In 2021 Lu Liu, MSc Scientific Computing, 2020/21, developed SpeedyAuger as part of her research project in the group.
SpeedyAuger is a software package that provides core state and Auger-Meitner reference energies as well as relative theoretical intensities. The software has both search and plot options and users can import their own data files for comparison. It has options to search by kinetic or binding energy, select a set photon energy, and search by energy range or by specific element(s).
The main motivation to create this program was to ease the identification of Auger-Meitner features in X-ray photoelectron spectroscopy, particularly at synchrotron sources were the photon energy, and therefore the kinetic energy, can vary greatly.
The SpeedyAuger program can be found on GitHub. It uses the EADL core level binding energies to compute all possible Auger-Meitner transitions and applies Scofield photoionisation cross sections to scale core line intensities (it made use of our own digitised version). All references are listed below.
S. T. Perkins, D. E. Cullen, M. H. Chen, J. Rathkopf, J. Scofield, J. H. Hubbell, Tables and graphs of atomic subshell and relaxation data derived from the LLNL Evaluated Atomic Data Library (EADL), Z = 1–100, Technical Report UCRL-50400-Vol.30, Lawrence Livermore Laboratory, 1991, https://doi.org/10.2172/10121422.
J.H. Scofield, Theoretical photoionization cross sections from 1 to 1500 keV, Technical Report UCRL-51326, Lawrence Livermore Laboratory, 1973, https://doi.org/10.2172/4545040.
C. Kalha, N. K. Fernando, A. Regoutz, Digitisation of Scofield Photoionisation Cross Section Tabulated Data, 2020, figshare, Dataset, https://doi.org/10.6084/m9.figshare.12967079.v1.
