139 citations · 265 across the 15 of their papers we have counts for
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physics.chem-ph2018
The dynamic electron-correlation energy in the NOF-MP2 method from the orbital-invariant perturbation theory
Mario Piris
The original formulation (Phys. Rev. Lett. 119, 063002, 2017) of the natural orbital functional - second-order Møller-Plesset (NOF-MP2) method is based on the MP2 that uses the can…
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…
physics.chem-ph2018
Analytic second-order energy derivatives in natural orbital functional theory
Ion Mitxelena, Mario Piris
The analytic energy gradients in the atomic orbital representation have recently been published (J. Chem. Phys. 146, 014102, 2017) within the framework of the natural orbital funct…