Torre, Alicia

PRODUCCION CIENTÍFICO TECNOLÓGICA

Mostrando ítems 21-40 de 43

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 Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach

Alcoba, Diego Ricardo ; Tiznado, William; Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis (Elsevier Science, 2012-03)
Artículo Ground and excited state similarity studies by means of Fukui and dual-descriptor matrices

Alcoba, Diego Ricardo ; Lain, Luis; Torre, Alicia; Oña, Ofelia Beatriz ; Tiznado, William (Elsevier Science, 2012-10)
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 Local spin: A treatment beyond single determinant wave functions

Alcoba, Diego Ricardo ; Blainq, Luis; Torre, Alicia; Bochicchio, Roberto Carlos (Elsevier Science, 2009-01)
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 On the measure of electron correlation and entanglement in quantum chemistry based on the cumulant of the second-order reduced density matrix

Alcoba, Diego Ricardo ; Bochicchio, Roberto Carlos ; Lain, Luis; Torre, Alicia (American Institute of Physics, 2010-10)
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 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 Symmetry- Adapted Formulation Of The Combined G-Particle-Hole Hypervirial Equation And Hermitian Operator Method

Alcoba, Diego Ricardo ; Massaccesi, Gustavo Ernesto ; Oña, Ofelia Beatriz ; Torres Vega, Juan Jose; Lain, Luis; Torre, Alicia (Springer, 2014-08)
Artículo Symmetry-adapted formulation of the hybrid treatment resulting from the G-particle-hole Hypervirial equation and equations of motion methods: a procedure for modeling solids

Torres Vega, Juan J.; Massaccesi, Gustavo Ernesto ; Ríos, Elías Daniel ; Camjayi, Alberto ; Torre, Alicia; Lain, Luis; Oña, Ofelia Beatriz ; Tiznado, William; Alcoba, Diego Ricardo (Springer, 2021-02)
Artículo Topology of the effectively paired and unpaired electron densities for complex bonding patterns: The three-center two-electron bonding case

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos ; Torre, Alicia; Blainq, Luis (American Chemical Society, 2009-12)
Artículo Topology of the electron density in open-shell systems

Lobayan, Rosana Maria; Alcoba, Diego Ricardo ; Bochicchio, Roberto Carlos ; Torre, Alicia; Lain, Luis (American Chemical Society, 2010-01)
Artículo Toward (car)borane‑based molecular magnets

Oliva, Josep M.; Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis; Michl, Josef (Springer, 2015-01)
Artículo Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oña, Ofelia Beatriz ; Ríos, Elías Daniel (American Institute of Physics, 2019-04-23)
Artículo Variance-based wave function optimization within the unrestricted doubly occupied configuration interaction framework: A half-projection treatment

Garcia, Javier ; Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto (American Institute of Physics, 2024-12)
Artículo Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction framework: Treatments of triplet N -electron systems

Ríos, Elías Daniel ; Alcoba, Diego Ricardo ; Lain, Luis; Torre, Alicia; Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto (American Institute of Physics, 2022-07)
Artículo Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction scheme: An extension to the study of open-shell systems

Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis; Alcoba, Diego Ricardo ; Ríos, Elías Daniel ; Massaccesi, Gustavo Ernesto (American Institute of Physics, 2020-08)

Mostrando ítems 21-40 de 43