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The Journal of Chemical Physics
|
July 21, 2025
Determining the N-representability of transition reduced density matrices
Gustavo E Massaccesi, Pablo Capuzzi, Ofelia B Oña, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 7, 2016
Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach
Ofelia B Oña, Olivier De Clercq, Diego R Alcoba, et al.
The Journal of Chemical Physics
|
December 4, 2023
Generalized spin σ-SCF method
Ofelia B Oña, Gustavo E Massaccesi, Juan I Melo, et al.
The Journal of Physical Chemistry Letters
|
March 13, 2026
Is the Matrix Completion of Reduced Density Matrices Unique?
Gustavo E Massaccesi, Ofelia B Oña, Luis Lain, et al.
The Journal of Chemical Physics
|
January 3, 2015
A hybrid configuration interaction treatment based on seniority number and excitation schemes
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
November 24, 2018
Variational reduced density matrix method in the doubly occupied configuration interaction space using three-particle <i>N</i>-representability conditions
Diego R Alcoba, Pablo Capuzzi, Alvaro Rubio-García, et al.
Journal of Chemical Theory and Computation
|
December 26, 2025
Determining the Ensemble <i>N</i>-Representability of Reduced Density Matrices
Ofelia B Oña, Gustavo E Massaccesi, Pablo Capuzzi, et al.
The Journal of Physical Chemistry. A
|
July 10, 2024
DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Interaction Correction
Juan E Peralta, Veronica Barone, Juan I Melo, et al.
The Journal of Chemical Physics
|
July 9, 2021
Variational determination of ground and excited-state two-electron reduced density matrices in the doubly occupied configuration space: A dispersion operator approach
Diego R Alcoba, Ofelia B Oña, Luis Lain, et al.
The Journal of Physical Chemistry. A
|
August 14, 2024
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework
Diego R Alcoba, Luis Lain, Alicia Torre, et al.
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of 5
Search research articles
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Showing results (31-40 of 48) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
July 21, 2025
Determining the N-representability of transition reduced density matrices
Gustavo E Massaccesi, Pablo Capuzzi, Ofelia B Oña, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 7, 2016
Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach
Ofelia B Oña, Olivier De Clercq, Diego R Alcoba, et al.
The Journal of Chemical Physics
|
December 4, 2023
Generalized spin σ-SCF method
Ofelia B Oña, Gustavo E Massaccesi, Juan I Melo, et al.
The Journal of Physical Chemistry Letters
|
March 13, 2026
Is the Matrix Completion of Reduced Density Matrices Unique?
Gustavo E Massaccesi, Ofelia B Oña, Luis Lain, et al.
The Journal of Chemical Physics
|
January 3, 2015
A hybrid configuration interaction treatment based on seniority number and excitation schemes
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
November 24, 2018
Variational reduced density matrix method in the doubly occupied configuration interaction space using three-particle <i>N</i>-representability conditions
Diego R Alcoba, Pablo Capuzzi, Alvaro Rubio-García, et al.
Journal of Chemical Theory and Computation
|
December 26, 2025
Determining the Ensemble <i>N</i>-Representability of Reduced Density Matrices
Ofelia B Oña, Gustavo E Massaccesi, Pablo Capuzzi, et al.
The Journal of Physical Chemistry. A
|
July 10, 2024
DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Interaction Correction
Juan E Peralta, Veronica Barone, Juan I Melo, et al.
The Journal of Chemical Physics
|
July 9, 2021
Variational determination of ground and excited-state two-electron reduced density matrices in the doubly occupied configuration space: A dispersion operator approach
Diego R Alcoba, Ofelia B Oña, Luis Lain, et al.
The Journal of Physical Chemistry. A
|
August 14, 2024
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework
Diego R Alcoba, Luis Lain, Alicia Torre, et al.
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of 5