Summary
This paper describes the behaviour of some procedures for the direct approximation of Reduced Density Matrices. These methods have been applied to the determination of the energies of the ground and two lower excited states of the first-row atoms. Some criteria to establish the quality of the results are pointed out. The results have been compared in all cases with the experimental data and, for beryllium, with the energy obtained using the Full Configuration Interaction method.
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Torre, A., Lain, L. & Millan, J. Analysis of several methods in the direct approximation of reduced density matrices. Nuov Cim B 108, 491–498 (1993). https://doi.org/10.1007/BF02742807
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DOI: https://doi.org/10.1007/BF02742807