139 citations · 625 across the 28 of their papers we have counts for
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physics.chem-ph2021★ 75 cited
Global Natural Orbital Functional: Towards the Complete Description of the Electron Correlation
Mario Piris
The current work presents a natural orbital functional (NOF) for electronic systems with any spin value independent of the external potential being considered, that is, a global NO…
physics.chem-ph2021
Resolution of the identity approximation applied to PNOF correlation calculations
Juan Felipe Huan Lew-Yee, Mario Piris, Jorge M. del Campo
In this work, the required algebra to employ the resolution of the identity approximation within Piris Natural Orbital Functional (PNOF) is developed, leading to an implementation…