Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware

We introduced a noise-resilient quantum algorithm for electronic structure based on an exact transcorrelated approach, which shifts correlation into the Hamiltonian to reduce quantum resource requirements. This method yields chemically accurate (comparable to experiment) dissociation energies for small molecules using as few as 4-6 qubits - an order of magnitude fewer than conventional methods. By enabling shallower circuits and better convergence to the basis set limit, our approach provides a practical path toward high-accuracy quantum chemistry on near-term quantum hardware.

Recommended citation: Igor O. Sokolov (shared first authorship), et al. (2024). "Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware." JCTC
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