Towards efficient quantum computing for quantum chemistry: reducing circuit complexity with transcorrelated and adaptive ansatz techniques
E. A. Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz · Faraday Discussions · 2024
is a notoriously difficult case where unitary coupled cluster theory, including singles and doubles excitations, fails to provide accurate results. Adding TC yields energies close to the complete basis set (CBS) limit while reducing the number of necessary operators - and thus circuit depth - in the adaptive ansätze. The reduced circuit depth furthermore makes our algorithm more noise-resilient and accelerates convergence. Our study demonstrates that combining the TC method with adaptive ansätze yields compact, noise-resilient, and easy-to-optimize quantum circuits that yield accurate quantum chemistry results close to the CBS limit.