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The Journal of Chemical Physics|May 22, 2024
Assessing the global natural orbital functional approximation on model systems with strong correlationIon Mitxelena, Mario PirisThe Journal of Chemical Physics|January 9, 2017
Analytic gradients for natural orbital functional theoryIon Mitxelena, Mario PirisThe Journal of Chemical Physics|August 6, 2020
Analytic gradients for spin multiplets in natural orbital functional theoryIon Mitxelena, Mario PirisThe Journal of Chemical Physics|February 17, 2020
An efficient method for strongly correlated electrons in two-dimensionsIon Mitxelena, Mario PirisThe Journal of Chemical Physics|June 8, 2022
Benchmarking GNOF against FCI in challenging systems in one, two, and three dimensionsIon Mitxelena, Mario PirisJournal of Physics. Condensed Matter : an Institute of Physics Journal|January 18, 2020
An efficient method for strongly correlated electrons in one dimensionIon Mitxelena, Mario PirisThe Journal of Chemical Physics|June 3, 2016
Molecular electric moments calculated by using natural orbital functional theoryIon Mitxelena, Mario PirisJournal of Chemical Theory and Computation|March 6, 2026
5- and 6-Membered Rings: A Natural Orbital Functional StudyIon Mitxelena, Juan Felipe Huan Lew-Yee, Mario PirisJournal of Chemical Theory and Computation|November 22, 2021
Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical OrbitalsMauricio Rodríguez-Mayorga, Ion Mitxelena, Fabien Bruneval, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 24, 2019
Natural orbital functional for spin-polarized periodic systemsRaul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga, et al.Pageof 5