Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers.

ABSTRACT: Near-term quantum devices require wavefunction ansätze that are expressive while also of shallow circuit depth in order to both accurately and efficiently simulate molecular electronic structure. While the unitary coupled cluster ansatz (e.g., UCCSD) has become a standard, the high gate count associated with the implementation of this limits its feasibility on noisy intermediate-scale quantum (NISQ) hardware. k-Fold unitary cluster Jastrow (uCJ) ansätze mitigate this challenge by providing O(kN ²) circuit scaling and favorable linear depth circuit implementation. Previous work has focused on the real orbitalrotation (Re-uCJ) variant of uCJ, which allows an exact (Trotter-free) implementation. Here we extend and generalize the k-fold uCJ framework by i

SUBMITTER: Tkachenko NV 

PROVIDER: S-EPMC12628341 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature