Simulation of electronic structure Hamiltonians using quantum computers

@article{Whitfield2011SimulationOE,
  title={Simulation of electronic structure Hamiltonians using quantum computers},
  author={J. Whitfield and J. Biamonte and Al{\'a}n Aspuru-Guzik},
  journal={Molecular Physics},
  year={2011},
  volume={109},
  pages={735 - 750}
}
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient methods for the exact simulation of quantum systems on classical computers presents a limitation of current computational approaches. We report, in detail, how a set of pre-computed molecular integrals can be used to explicitly create a quantum circuit, i.e. a… Expand
Communication: Spin-free quantum computational simulations and symmetry adapted states.
  • J. Whitfield
  • Physics, Medicine
  • The Journal of chemical physics
  • 2013
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