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Computer Physics Communications

Density matrix technique for ground state calculations

M. S. L. du Croo de Jongh, J.M Doumen, J. M. J. van Leeuwen

Published Sep 1, 1999• 0 citations
Publisher
DOI
10.1016/s0010-4655(99)00387-2

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The ground states and excited states of the Lipkin model Hamiltonian are calculated using a new theoretical approach that has been derived from an extended time-dependent Hartree-Fock theory known as the time-dependent density-matrix (TDDM) theory. TDDM theory enables us to calculate correlated ground states, and its small amplitude limit (STDDM), which is a version of extended RPA theories based on a correlated ground state, can be used to calculate excited states. It is found that this TDDM plus STDDM approach gives much better results for both the ground states and the excited states than the Hartree-Fock ground state plus RPA approach.
The ground state of 16O^{16}\mathrm{O}16O is calculated by using a time-dependent density-matrix approach derived from a new truncation scheme of the Bogoliubov--Born--Green--Kirkwood--Yvon hierarchy for reduced density matrices, where a three-body density matrix is approximated by an antisymmetrized product of two-body density matrices. The new scheme is compared with a simpler truncation scheme previously used for the calculation of the ground state of 16O^{16}\mathrm{O}16O where the three-body density matrix is neglected and only two-particle--two-hole elements of the two-body density matrix are considered. It is shown that the results obtained from the two truncation schemes agree well with the exact solution.