📝 SummarXiv

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.