139 citations · 265 across the 15 of their papers we have counts for
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An efficient method for strongly correlated electrons in one dimension
Ion Mitxelena, Mario Piris
The one-particle reduced density matrix functional theory in its natural orbital functional (NOF) version is used to study strongly correlated electrons. We show the ability of the…
An efficient method for strongly correlated electrons in two-dimensions
Ion Mitxelena, Mario Piris
This work deals with the problem of strongly correlated electrons in two-dimensions (2D). We give a reduced density matrix (RDM) based tool through which the ground-state energy is…
Natural orbital functional for multiplets
Mario Piris
A natural orbital functional for electronic systems with any value of the spin is proposed. This energy functional is based on a new reconstruction for the two-particle reduced den…
Performance of the NOF-MP2 method in hydrogen abstraction reactions
Xabier Lopez, Mario Piris
The recently proposed natural orbital functional second-order Møller-Plesset (NOF-MP2) method is capableof achieving both dynamic and static correlation even for those systems with…
Natural orbital functional for spin-polarized periodic systems
Raul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga +2
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairi…