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Statistical properties of spin-adapted reduced Hamiltonians
Authors:V. Mas  J. Planelles  J. Karwowski  F. Rajadell
Abstract:The first two moments of the spectral density distributions of the second- and the third-order spin-adapted reduced Hamiltonian (SRH ) matrices have been calculated and compared with the corresponding quantities describing the full configuration interaction (FCI ) Hamiltonian matrix. It has been demonstrated that the differences between the SRH and FCI spectral density distributions sharply increase with increasing difference between the number of electrons and the order of SRH . © 1994 John Wiley & Sons, Inc.
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