8 citations · 8 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2019★ 8 cited
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…
physics.chem-ph2018
Phase Dilemma in Natural Orbital Functional Theory from the N-representability Perspective
Ion Mitxelena, Mauricio Rodríguez-Mayorga, Mario Piris
Any rigorous approach to first-order reduced density (1RDM) matrix functional theory faces the phase dilemma, that is, having to deal with a large number of possible combinations o…