five

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

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Mendeley Data2019-01-14 更新2026-04-09 收录
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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 greater than or equal to 5) to a high degree of accuracy and in a highly computationally efficient manner.
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2019-01-14
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