Generalized Unitary Coupled Cluster Wave functions for Quantum Computation.

@article{Lee2019GeneralizedUC,
  title={Generalized Unitary Coupled Cluster Wave functions for Quantum Computation.},
  author={Joonho Lee and William J. Huggins and Martin Head‐Gordon and K. Birgitta Whaley},
  journal={Journal of chemical theory and computation},
  year={2019},
  volume={15 1},
  pages={
          311-324
        }
}
We introduce a unitary coupled-cluster (UCC) ansatz termed k-UpCCGSD that is based on a family of sparse generalized doubles operators, which provides an affordable and systematically improvable unitary coupled-cluster wave function suitable for implementation on a near-term quantum computer. k-UpCCGSD employs k products of the exponential of pair coupled-cluster double excitation operators (pCCD), together with generalized single excitation operators. We compare its performance in both… Expand
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