Scuseria, Gustavo E2022-09-232023-08-012022-082022-08-05August 202Khamoshi, Armin. "Correlating AGP on quantum and classical computers: A theoretical and computational study." (2022) Diss., Rice University. <a href="https://hdl.handle.net/1911/113251">https://hdl.handle.net/1911/113251</a>.https://hdl.handle.net/1911/113251Conventional methods to solve quantum many-body problems in physics and chemistry often struggle in the strongly correlated regime. Recent advances in quantum computing hardware have opened up new ways to tackle the strong correlation problem; however, existing hybrid quantum-classical algorithms typically start from conventional classical methods or take inspiration from them. In this thesis, we develop novel correlation methods on classical and quantum computers that are based the anti-symmetrized geminal power (AGP) wavefunction---a state equivalent to the number projected Bardeen--Cooper--Schrieffer (BCS) wavefunction. Our methods fall under the larger category of merging coupled cluster theory with symmetry--breaking and restoration. We showcase benchmark calculations for model Hamiltonians that exhibit strong correlation that are prototypical of those in molecules and condensed matter systems and demonstrate that our methods have the potential to address strong correlation in attractive and repulsive systems on an equal footing.application/pdfengCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.Strong correlation problemquantum chemistryquantum algorithmsgeminal based methodsAGP-based methodsJastrow AGPunitary coupled clustercoupled cluster theoryThesis2022-09-23