Evaluating Ground State Energies of Chemical Systems with Low-Depth Quantum Circuits and High Accuracy.

ABSTRACT: Quantum computers have the potential to efficiently solve the electronic structure problem but are currently limited by noise and shallow circuits. We present an enhanced Variational Quantum Eigensolver (VQE) ansatz based on the Qubit Coupled Cluster (QCC) approach that requires optimization of only n parameters, where n is the number of Pauli string generators, rather than the typical n + 2m parameters, where m is the number of qubits. We evaluate the ground state energies and molecular dissociation curves of strongly correlated molecules, namely O₃ and Li₄, using active spaces of varying sizes in conjunction with our enhanced QCC ansatz, Unitary Coupled Cluster Single-Double (UCCSD) ansatz, and the classical Coupled Cluster Singles

SUBMITTER: Sun S 

PROVIDER: S-EPMC11912482 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature