Low Depth Quantum Simulation of Electronic Structure

ORAL

Abstract

The majority of quantum algorithms for solving the electronic structure problem encode the wavefunction using N Gaussian orbitals, leading to Hamiltonians with O(N^4) second-quantized terms. We avoid this overhead and extend methods to the condensed phase by utilizing a dual form of the plane wave basis which diagonalizes the potential operator, leading to a Hamiltonian representation with O(N^2) second-quantized terms. Using this representation we can implement single Trotter steps of the Hamiltonians with linear gate depth on a planar lattice. Properties of the basis allow us to deploy Trotter and Taylor series based simulations with respective circuit depths of O(N^{7/2}) and O(N^{8/3}) for fixed charge densities - both large asymptotic improvements over all prior results. Variational algorithms also require significantly fewer measurements to find the mean energy in this basis, ameliorating a primary challenge of that approach. We conclude with a proposal to simulate the uniform electron gas (jellium) using a low depth variational ansatz realizable on near-term quantum devices. From these results we identify simulations of low density jellium as a promising first setting to explore quantum supremacy in electronic structure.

Presenters

  • Ryan Babbush

    Google Inc.

Authors

  • Ryan Babbush

    Google Inc.

  • Nathan Wiebe

    Microsoft

  • Jarrod McClean

    Google Inc., Quantum Artificial Intelligence Lab, Google

  • James McClain

    Caltech

  • Hartmut Neven

    Google Inc.

  • Garnet Chan

    Caltech, CCE, California Institute of Technology, Division of Chemistry and Chemical Engineering, California Institute of Technology, Division of Chemistry and Chemical Engineering, Caltech