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arxiv: 1805.11265 · v2 · pith:RNWIGMP5new · submitted 2018-05-29 · ⚛️ physics.atom-ph

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

classification ⚛️ physics.atom-ph
keywords atomiccalculationssoftwareambitrelativisticstructureaccuracyallow
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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 ($N > 5$) to a high degree of accuracy and in a highly computationally efficient manner.

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