AMBiT: A programme for high-precision relativistic atomic structure calculations

Published: 14 January 2019| Version 1 | DOI: 10.17632/7xfxhr9mg6.1


We present the AMBiT software package for general atomic structure calculations. This software implements particle–hole configuration interaction with many-body perturbation theory (CI+MBPT) for fully relativistic calculations of atomic energy levels, electric- and magnetic-multipole transition matrix elements, g-factors and isotope shifts. New numerical methods and modern high-performance computing techniques employed by this software allow for the calculation of open-shell systems with many valence-electrons (N greater than or equal to 5) to a high degree of accuracy and in a highly computationally efficient manner.



Computational Physics, Atomic Structure, Configuration Interaction, Perturbation Theory