Massaccesi, Gustavo Ernesto

Datos académicos

PRODUCCION CIENTÍFICO TECNOLÓGICA

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Artículo A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60

Oña, Ofelia Beatriz ; Ferrer, Maxime; Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Klein, Douglas J.; Alkorta, Ibon; Elguero, José; Oliva Enrich, Josep M. (Elsevier B.V., 2023-02)
Artículo A study of the compactness of wave functions based on Shannon entropy indices: a seniority number approach

Lain, Luis; Torre, Alicia; Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto (Springer, 2015-07)
Artículo A variance-based optimization for determining ground and excited N -electron wave functions within the doubly occupied configuration interaction scheme

Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis; Sierra, Guadalupe; Massaccesi, Gustavo Ernesto (American Institute of Physics, 2024-04)
Artículo Determination of exchange coupling constants in linear polyradicals by means of local spins

Oña, Ofelia Beatriz ; Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oliva Enrich, Josep M. (Springer, 2017-03)
Artículo Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N -representability conditions

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oña, Ofelia Beatriz ; Honore, Eduardo Misael; Poelmans, Ward; Van Neck, Dimitri; Bultinck, Patrick; De Baerdemacker, Stijn (American Institute of Physics, 2018-01)
Artículo DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Interaction Correction

Peralta, Juan E.; Barone, Veronica; Melo, Juan Ignacio ; Alcoba, Diego Ricardo ; Massaccesi, Gustavo Ernesto ; Lain, Luis; Torre, Alicia; Oña, Ofelia Beatriz (American Chemical Society, 2024-07)
Artículo Exploiting the nearsightedness principle within the framework of the anti-Hermitian contracted Schrödinger equation

Honoré, Eduardo M.; Ríos, Elías Daniel ; Alcoba, Diego Ricardo ; Massaccesi, Gustavo Ernesto ; Torre, Alicia; Lain, Luis; Oña, Ofelia Beatriz (John Wiley & Sons, 2022-03)
Artículo Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework

Alcoba, Diego Ricardo ; Lain, Luis; Torre, Alicia; Ayala, Tomás R.; Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto ; Peralta, Juan E.; Melo, Juan Ignacio (American Chemical Society, 2024-08)
Artículo Generalized spin σ-SCF method

Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto ; Melo, Juan Ignacio ; Torre, Alicia; Lain, Luis; Alcoba, Diego Ricardo ; Peralta, Juan E. (American Institute of Physics, 2023-12)
Artículo Hybrid Treatments Based on Determinant Seniority Numbers and Spatial Excitation Levels in the Configuration Interaction Framework

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto ; Capuzzi, Pablo (Elsevier Academic Press Inc, 2018-01)
Artículo Incorporating dynamic correlation into the variational determination method of the second-order reduced density matrix in the doubly occupied configuration interaction space

Alcoba, Diego Ricardo ; Torre, Alberto; Lain, Luis; Oña, Ofelia Beatriz ; Rios Guzman, Mikhail Eduardo ; Massaccesi, Gustavo Ernesto (John Wiley & Sons Inc, 2020-04)
Artículo Influence of the N -representability conditions on the variational determination of two-electron reduced density matrices for ground and excited N -electron states in the doubly occupied configuration interaction space

Corvalan, Dario A.; Oña, Ofelia Beatriz ; Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto (American Institute of Physics, 2022-11)
Artículo Magnetic properties of closo-carborane-based Co(II) single-ion complexes with O, S, Se, and Te bridging atoms

Oña, Ofelia Beatriz ; Alcoba, Diego Ricardo ; Massaccesi, Gustavo Ernesto ; Torre, Alicia; Lain, Luis; Melo, Juan Ignacio ; Oliva Enrich, Josep M.; Peralta, Juan E. (Pergamon-Elsevier Science Ltd, 2020-01)
Artículo Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands

Oña, Ofelia Beatriz ; Alcoba, Diego Ricardo ; Massaccesi, Gustavo Ernesto ; Torre, Alicia; Lain, Luis; Melo, Juan Ignacio ; Oliva, Josep M.; Peralta, Juan E. (American Chemical Society, 2019-01)
Artículo Molecular magnetism in closo -azadodecaborane supericosahedrons

Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto ; Torre, Alicia; Lain, Luis; Notario, Rafael; Oliva, Josep M. (Taylor & Francis Ltd, 2016-02)
Artículo Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oña, Ofelia Beatriz ; Ayers, P. W.; Van Raemdonck, M.; Bultinck, P.; Van Neck, D. (Springer, 2016-06)
Artículo Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions

Van Raemdonck, Mario; Alcoba, Diego Ricardo ; Poelmans, Ward; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Van Neck, D.; Bultinck, P. (American Institute of Physics, 2015-09)
Artículo Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oña, Ofelia Beatriz (American Institute of Physics, 2013-08-23)
Artículo Spin contamination-free N -electron wave functions in the excitation-based configuration interaction treatment

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oña, Ofelia Beatriz ; Capuzzi, Pablo (American Institute of Physics, 2016-07)
Artículo Studies of molecular dissociation by means of restricted and unrestricted treatments within the doubly occupied configuration interaction framework

Garcia, Javier ; Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis; Alcoba, Diego Ricardo ; Massaccesi, Gustavo Ernesto (John Wiley & Sons, 2023-03)

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