Exponentially faster implementations of Select(H) for fermionic Hamiltonians

preprint2021arXivOpen access

Abstract

We present a simple but general framework for constructing quantum circuits that implement the multiply-controlled unitary Select(H)≡∑ℓ∣ℓ⟩⟨ℓ∣⊗Hℓ\text{Select}(H) \equiv \sum_\ell |\ell\rangle\langle\ell|\otimes H_\ell, where H=∑ℓHℓH = \sum_\ell H_\ell is the Jordan-Wigner transform of an arbitrary second-quantised fermionic Hamiltonian. Select(H)\text{Select}(H) is one of the main subroutines of several quantum algorithms, including state-of-the-art techniques for Hamiltonian simulation. If each term in the second-quantised Hamiltonian involves at most kk spin-orbitals and kk is a constant independent of the total number of spin-orbitals nn (as is the case for the majority of quantum chemistry and condensed matter models considered in the literature, for which kk is typically 2 or 4), our implementation of Select(H)\text{Select}(H) requires no ancilla qubits and uses O(n)\mathcal{O}(n) Clifford+T gates, with the Clifford gates applied in O(log⁡2n)\mathcal{O}(\log^2 n) layers and the TT gates in O(log⁡n)O(\log n) layers. This achieves an exponential improvement in both Clifford- and T-depth over previous work, while maintaining linear gate count and reducing the number of ancillae to zero.

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