On the size-consistency of the reduced-density-matrix method and the unitary invariant diagonal N-representability conditions

@article{Nakata2011OnTS,
  title={On the size-consistency of the reduced-density-matrix method and the unitary invariant diagonal N-representability conditions},
  author={Maho Nakata},
  journal={AIP Advances},
  year={2011},
  volume={2},
  pages={032125}
}
  • Maho Nakata
  • Published 29 August 2011
  • Mathematics
  • AIP Advances
A promising variational approach for determining the ground state energy and its properties is by using the second-order reduced density matrix (2-RDM). However, the leading obstacle with this approach is the N-representability problem. By employing a subset of conditions (typically the P, Q, G, T1 and T2′ conditions) results comparable to those of CCSD(T) can be achieved. However, these conditions do not guarantee size-consistency. In this work, we show that size-consistency can be satisfied… 

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