Accuracy and Potential of Hardware-Efficient Ansatze for Molecular Ground and Excited State Electronic Structure Calculations: Benchmark and Analysis of High-Depth Quantum Circuits.

ABSTRACT: The variational quantum eigensolver (VQE) algorithm has positioned quantum chemistry calculation methods as promising applications for noisy intermediate-scale quantum (NISQ) devices. In NISQ devices, where the quantum noise is considerable, it is desirable to have an ansatz for the quantum circuit that is practical to implement and capable of achieving high chemical accuracy. Hardware-efficient Ansätze (HEA), such as the RyRz linear ansatz (RLA) and its modified form that preserves physical quantitiesthe symmetry preserving ansatz (SPA)are constructed using quantum gates that can be implemented easily on a quantum computer. However, the extent to which HEA can accurately yield the electronic state energies of actual molecules and the number of quantum gates required to achieve ch

SUBMITTER: Bistafa C 

PROVIDER: S-EPMC12631438 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature