Variational determination of the two-particle reduced density matrix within the doubly occupied configuration interaction space: exploiting translational and reflection invariance
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DOI: 10.1088/1742-5468/abd940
Abstract: This work incorporates translational and reflection symmetry reductions to the variational determination of the two-particle reduced density matrix (2-RDM) corresponding to the ground state of N-particle systems, within the doubly occupied configuration interaction (DOCI) space.… read more here.
Keywords: translational reflection; matrix; two particle; particle ... See more keywords