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Is the matrix completion of reduced density matrices unique?
Gustavo E. Massaccesi, Ofelia B. Oña, Luis Lain +4
Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffice…
Putting fermions onto a digital quantum computer
Riley W. Chien, Mitchell L. Chiew, Brent Harrison +8
Quantum computers are expected to become a powerful tool for studying physical quantum systems. Consequently, a number of quantum algorithms for studying the physical properties of…
Determining the ensemble N-representability of Reduced Density Matrices
Ofelia B. Oña, Gustavo E. Massaccesi, Pablo Capuzzi +5
The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolu…
Determining the N-representability of a reduced density matrix via unitary evolution and stochastic sampling
Gustavo. E. Massaccesi, Ofelia. B. Oña, Pablo Capuzzi +6
The N-representability problem consists in determining whether, for a given p-body matrix, there exists at least one N-body density matrix from which the p-body matrix can be obtai…
State preparation of AGP on a quantum computer without number projection
Armin Khamoshi, Rishab Dutta, Gustavo E. Scuseria
The antisymmetrized geminal power (AGP) is equivalent to the number projected Bardeen-Cooper-Schrieffer (PBCS) wavefunction. It is also an elementary symmetric polynomial (ESP) sta…
AGP-based unitary coupled cluster theory for quantum computers
Armin Khamoshi, Guo P. Chen, Francesco A. Evangelista +1
Electronic structure methods typically benefit from symmetry breaking and restoration, specially in the strong correlation regime. The same goes for Ansätze on a quantum computer.…