Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals
Rodríguez-Mayorga, Mauricio, Mitxelena, Ion, Bruneval, Fabien, Piris, Mario
Published in Journal of chemical theory and computation (14.12.2021)
Published in Journal of chemical theory and computation (14.12.2021)
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Journal Article
Singling Out Dynamic and Nondynamic Correlation
Via-Nadal, Mireia, Rodríguez-Mayorga, Mauricio, Ramos-Cordoba, Eloy, Matito, Eduard
Published in The journal of physical chemistry letters (18.07.2019)
Published in The journal of physical chemistry letters (18.07.2019)
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Journal Article
Natural range separation of the Coulomb hole
Via-Nadal, Mireia, Rodríguez-Mayorga, Mauricio, Ramos-Cordoba, Eloy, Matito, Eduard
Published in The Journal of chemical physics (14.05.2022)
Published in The Journal of chemical physics (14.05.2022)
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Journal Article
Natural orbital functional for spin-polarized periodic systems
Quintero-Monsebaiz, Raul, Mitxelena, Ion, Rodríguez-Mayorga, Mauricio, Vela, Alberto, Piris, Mario
Published in Journal of physics. Condensed matter (24.04.2019)
Published in Journal of physics. Condensed matter (24.04.2019)
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Journal Article
Can GW handle multireference systems?
Ammar, Abdallah, Marie, Antoine, Rodríguez-Mayorga, Mauricio, Burton, Hugh G A, Loos, Pierre-François
Published in The Journal of chemical physics (21.03.2024)
Published in The Journal of chemical physics (21.03.2024)
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Journal Article
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties
Besalú-Sala, Pau, Bruneval, Fabien, Pérez-Jiménez, Ángel José, Sancho-García, Juan Carlos, Rodríguez-Mayorga, Mauricio
Published in Journal of chemical theory and computation (26.09.2023)
Published in Journal of chemical theory and computation (26.09.2023)
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Journal Article
The Coulomb Hole of the Ne Atom
Rodríguez‐Mayorga, Mauricio, Ramos‐Cordoba, Eloy, Lopez, Xabier, Solà, Miquel, Ugalde, Jesus M., Matito, Eduard
Published in ChemistryOpen (Weinheim) (01.04.2019)
Published in ChemistryOpen (Weinheim) (01.04.2019)
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Journal Article
Partition of optical properties into orbital contributions
Sitkiewicz, Sebastian P, Rodríguez-Mayorga, Mauricio, Luis, Josep M, Matito, Eduard
Published in Physical chemistry chemical physics : PCCP (17.07.2019)
Published in Physical chemistry chemical physics : PCCP (17.07.2019)
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Journal Article
Bonding description of the Harpoon mechanism
Rodríguez-Mayorga, Mauricio, Ramos-Cordoba, Eloy, Salvador, Pedro, Solà, Miquel, Matito, Eduard
Published in Molecular physics (17.04.2016)
Published in Molecular physics (17.04.2016)
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Journal Article
Relativistic reduced density matrix functional theory
Rodríguez-Mayorga, Mauricio, Giesbertz, Klaas, Visscher, L.
Published in SciPost Chemistry (10.06.2022)
Published in SciPost Chemistry (10.06.2022)
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Journal Article
Comprehensive benchmarking of density matrix functional approximationsIn memoriam of Jose Ignacio Eguiazabal, researcher and Director of Polymer Science and Technology Department (UPV-EHU).Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03349d
Rodríguez-Mayorga, Mauricio, Ramos-Cordoba, Eloy, Via-Nadal, Mireia, Piris, Mario, Matito, Eduard
Year of Publication 13.09.2017
Year of Publication 13.09.2017
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Journal Article
Cover Feature: The Coulomb Hole of the Ne Atom (ChemistryOpen 4/2019)
Rodríguez‐Mayorga, Mauricio, Ramos‐Cordoba, Eloy, Lopez, Xabier, Solà, Miquel, Ugalde, Jesus M., Matito, Eduard
Published in ChemistryOpen (Weinheim) (01.04.2019)
Published in ChemistryOpen (Weinheim) (01.04.2019)
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Journal Article
From Many-Body Ab Initio to Effective Excitonic Models: A Versatile Mapping Approach Including Environmental Embedding Effects
Rodriguez-Mayorga, Mauricio, Blase, Xavier, Duchemin, Ivan, D’Avino, Gabriele
Published in Journal of chemical theory and computation (18.09.2024)
Published in Journal of chemical theory and computation (18.09.2024)
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Journal Article
From many-body ab initio to effective excitonic models: a versatile mapping approach including environmental embedding effects
Rodríguez-Mayorga, Mauricio, Blase, Xavier, Duchemin, Ivan, D'Avino, Gabriele
Year of Publication 11.06.2024
Year of Publication 11.06.2024
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Journal Article