Recursive algorithm for constructing antisymmetric fermion sates in first quantization

Recursive algorithm for constructing antisymmetric fermion sates in first quantization

E. Rule, I. A. Chernyshev, I. Stetcu, J. Carlson, R. Weiss.
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Abstract

We devise a deterministic quantum algorithm to produce antisymmetric states of single-particle orbitals in the first quantization mapping. Unlike sorting-based antisymmetrization algorithms, which require ordered input states and high Clifford-gate overhead, our approach initializes the state of each particle independently. For a system of N particles and N_s single-particle states, our algorithm prepares antisymmetrized states of non-trivial localized (e.g., Hartree-Fock) orbitals using O(N^2\sqrt{N_s}) T-gates, outperforming alternative algorithms when N\lesssim \sqrt{N_s}. To achieve such scaling, we require O(\sqrt{N_s}) dirty ancilla qubits for intermediate calculations. Knowledge of the single-particle states to be antisymmetrized can be leveraged to further improve the efficiency of the circuit, and a measurement-based variant reduces gate cost by roughly a factor of two. We show example circuits for two- and three-particle systems and discuss the generalization to an arbitrary number of particles. For a specific three-particle example, we decompose the circuit into Clifford+T gates and study the impact of noise on the prepared state.

Associated Fellows