5 citations · 6 across the 6 of their papers we have counts for
6 papers
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…
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…
Symmetry-adapted formulation of the combined G-particle-hole Hypervirial equation and Hermitian Operator method
Diego R. Alcoba, Gustavo E. Massaccesi, Ofelia B. Oña +3
High accuracy energies of low-lying excited states, in molecular systems, have been determined by means of a procedure which combines the G-particle-hole Hypervirial (GHV) equation…
Comment on 'Energy partitioning schemes: a dilemma' [I. Mayer, Faraday Discuss., (2007) 135, 439]
Diego R. Alcoba, Roberto C. Bochicchio, Alicia Torre +1
A study of some decomposition schemes of the molecular energy into one- and two-center contributions published in the above mentioned journal highlights the importance of a 'dilemm…
Domain-averaged Fermi hole versus regional reduced density matrices: a critical comparison
Diego R. Alcoba, Roberto C. Bochicchio, Luis Lain +1
In their recent work Cooper and Ponec [Phys. Chem. Chem. Phys., 2008, 10, 1319-1329] proposed a ``one-electron approximation to domain-averaged Fermi hole (DAFH)" used in electroni…