Abstract
The theory of the spin-adapted reduced Hamiltonian matrix recently published [20–22] is briefly reported here. We interpret the eigenvectors of these matrices as describing in an average way independent pairs of electrons. Using this idea an approximate method is devised for the direct determination of the second order reduced density matrices. This method is described in detail here. Some of the results recently obtained [22–23] for the Beryllium isoelectronic series are reported here to illustrate the theory. The reduced forms of the continuity equation and of the Schrödinger equation obtained by application of the contraction mapping in its matricial form [20–21] are also presented here.
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Valdemoro, C. (1987). Theory and Practice of the Spin-Adapted Reduced Hamiltonians (SRH). In: Erdahl, R., Smith, V.H. (eds) Density Matrices and Density Functionals. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-3855-7_14
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DOI: https://doi.org/10.1007/978-94-009-3855-7_14
Publisher Name: Springer, Dordrecht
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