Exact Ansatz of Fermion-Boson Systems for a Quantum Device

Year: 2024

Authors: Warren S., Wang Y.C., Benavides-Riveros C.L., Mazziotti D.A.

Autors Affiliation: Univ Chicago, Dept Chem, Chicago, IL 60637 USA; Univ Chicago, James Franck Inst, Chicago, IL 60637 USA; Univ Trento, Pitaevskii BEC Ctr, INO, CNR, I-38123 Trento, Italy; Univ Trento, Dipartimento Fis, I-38123 Trento, Italy.

Abstract: We present an exact Ansatz for the eigenstate problem of mixed fermion-boson systems that can be implemented on quantum devices. Based on a generalization of the electronic contracted Schr & ouml;dinger equation (CSE), our approach guides a trial wave function to the ground state of any arbitrary mixed Hamiltonian by directly measuring residuals of the mixed CSE on a quantum device. Unlike density functional and coupled cluster theories applied to electron-phonon or electron-photon systems, the accuracy of our approach is not limited by the unknown exchange-correlation functional or the uncontrolled form of the exponential Ansatz. To test the performance of the method, we study the TavisCummings model, commonly used in polaritonic quantum chemistry. Our results demonstrate that the CSE is a powerful tool in the development of quantum algorithms for solving general fermion-boson many-body problems.

Journal/Review: PHYSICAL REVIEW LETTERS

Volume: 133 (8)      Pages from: 80202-1  to: 80202-8

More Information: D. A. M. gratefully acknowledges the U.S. Department of Energy, Office of Basic Energy Sciences, Grant No. DE-SC0019215, and the U.S. National Science Foundation (NSF) Grant No. CHE-2155082 and the NSF RAISE-QAC-QSA Grant No. DMR-2037783. C. L. B.-R. gratefully thanks Daniele De Bernardis and Jorge Campos for insightful discussions and acknowledges financial support from the European Union’s Horizon Europe Research and Innovation program under the Marie Sklodowska-Curie Grant Agreement No. 101065295 – RDMFTforbosons.
KeyWords: Contracted Schrodinger-equation; Density-matrices; Chemistry; Simulation; States
DOI: 10.1103/PhysRevLett.133.080202

Citations: 1
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