activity
20032026
most citedRestoring the density-gradient expansion for exchange in solids and surfaces

12k citations · 39.7k across the 125 of their papers we have counts for

collaborators

128 papers

cond-mat.str-el2026

Bogoliubov coupled-cluster theory for su(2) Hamiltonians

Swarnamoy Ghosh, Thomas M. Henderson, Gustavo E. Scuseria

Coupled-cluster theory is the method of choice for weakly correlated systems, but in strongly correlated systems where the mean-field reference is qualitatively poor, it can break…

cond-mat.str-el2026

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…

physics.chem-ph2026

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…

quant-ph2026

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…

quant-ph2026

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…

quant-ph2026★ 1 cited

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…