Obtaining the two-body density matrix in the density matrix renormalization group method.

@article{Zgid2008ObtainingTT,
  title={Obtaining the two-body density matrix in the density matrix renormalization group method.},
  author={D. Zgid and M. Nooijen},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 14},
  pages={
          144115
        }
}
We present an approach that allows to produce the two-body density matrix during the density matrix renormalization group (DMRG) run without an additional increase in the current disk and memory requirements. The computational cost of producing the two-body density matrix is proportional to O(M3k2+M2k4). The method is based on the assumption that different elements of the two-body density matrix can be calculated during different steps of a sweep. Hence, it is desirable that the wave function… Expand

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