• DOI:10.1063/1.2814150
Corpus ID: 27960193

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={D. Zgid and M. Nooijen},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 1},
  pages={
          014107
        }
}

• D. Zgid, M. Nooijen
• Published 2008
• Physics, Medicine
• The Journal of chemical physics

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… Expand