On the spin and symmetry adaptation of the density matrix renormalization group method.

@article{Zgid2008OnTS,
  title={On the spin and symmetry adaptation of the density matrix renormalization group method.},
  author={Dominika Zgid and Marcel Nooijen},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 1},
  pages={
          014107
        }
}
We present a spin-adapted density matrix renormalization group (DMRG) algorithm designed to target spin and spatial symmetry states that can be difficult to obtain while using a non-spin-adapted algorithm. The algorithmic modifications that have to be introduced into the usual density matrix renormalization group scheme in order to spin adapt it are discussed, and it is demonstrated that the introduced modifications do not change the overall scaling of the method. The new approach is tested on… 
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Perturbation Theories Based on the Density Matrix Renormalization Group

This thesis presents a combination of the DMRG and the strongly-contracted variant of second order N -electron valence state perturbation theory (SC-NEVPT2) that uses an efficient algorithm to compute high order reduced density matrices from D MRG wave functions.

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Matrix Product States and Density Matrix Renormalization Group Algorithm

The density matrix renormalization group for ab initio quantum chemistry

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