Optimal multiconfiguration approximation of an N -fermion wave function

@article{Zhang2014OptimalMA,
  title={Optimal multiconfiguration approximation of an N -fermion wave function},
  author={J. Zhang and M. Kollar},
  journal={Physical Review A},
  year={2014},
  volume={89},
  pages={012504}
}
We propose a simple iterative algorithm to construct the optimal multiconfiguration approximation of an $N$-fermion wave function. Namely, $M\ensuremath{\ge}N$ single-particle orbitals are sought iteratively so that the projection of the given wave function in the ${C}_{M}^{N}$-dimensional configuration subspace is maximized. The algorithm has a monotonic convergence property and can be easily parallelized. The significance of the algorithm on the study of geometric entanglement in a… Expand

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