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Introduction

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