The density matrix renormalization group self-consistent field method: orbital optimization with the density matrix renormalization group method in the active space.

@article{Zgid2008TheDM,
  title={The density matrix renormalization group self-consistent field method: orbital optimization with the density matrix renormalization group method in the active space.},
  author={D. Zgid and M. Nooijen},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 14},
  pages={
          144116
        }
}
We present the density matrix renormalization group self-consistent field (DMRG-SCF) approach that is analogous to the complete active space self-consisted field (CASSCF) method but instead of using for the description of the active space the full configuration interaction (FCI) method, the DMRG-SCF uses the density matrix renormalization group (DMRG) method. The DMRG-SCF approach, similarly to CASSCF, properly describes the multiconfigurational character of the wave function but avoids the… Expand

Topics from this paper

Second-Order Self-Consistent-Field Density-Matrix Renormalization Group.
A state interaction spin-orbit coupling density matrix renormalization group method.
Density-matrix renormalization group algorithm with multi-level active space.
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