10 papers
Seniority Eigenstate Configuration Interaction
Thomas M Henderson, Guo P. Chen, Gustavo E. Scuseria
Zero-seniority methods have shown great promise for the description of strongly-correlated electronic systems. Other seniority sectors have been much less explored, and in particul…
Configuration interaction extension of AGP for incorporating inter-geminal correlations
Airi Kawasaki, Fei Gao, Gustavo E. Scuseria
In this paper, we develop a class of antisymmetrized geminal power configuration interaction (AGP-CI) wave functions that extend the AGP framework by incorporating inter-geminal co…
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…
Jordan-Wigner Transformation for the Description of Strong Correlation in Fermionic Systems
Thomas M. Henderson, Guo P. Chen, Gustavo E. Scuseria
Seniority is a useful way of organizing Hilbert space for strongly correlated systems. The exact zero-seniority wave function, doubly-occupied configuration interaction (DOCI), pro…
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…