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When the goal of atsp transition calculations is to
calculate the properties of a given electronic sequence for a
range of atoms, and for each atom to include a portion of the
spectra, calculations may produce overwhelming amount of data. The
analysis of data could become a daunting task. sa
is designed to alleviate this task by performing most energy
related analyses, including energy accuracies and transition
uncertainties caused by errors of the computed vs.
observed energies.
2001-10-11