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The Journal of Chemical Physics
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September 7, 2013
Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
June 23, 2014
Configuration interaction wave functions: a seniority number approach
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
July 11, 2016
Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatment
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
September 3, 2020
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
Ofelia B Oña, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
May 3, 2019
Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
December 13, 2024
Variance-based wave function optimization within the unrestricted doubly occupied configuration interaction framework: A half-projection treatment
Javier Garcia, Diego R Alcoba, Alicia Torre, et al.
The Journal of Chemical Physics
|
July 8, 2022
Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction framework: Treatments of triplet N-electron systems
Elías Ríos, Diego R Alcoba, Luis Lain, et al.
The Journal of Chemical Physics
|
April 24, 2024
A variance-based optimization for determining ground and excited N-electron wave functions within the doubly occupied configuration interaction scheme
Diego R Alcoba, Ofelia B Oña, Alicia Torre, et al.
The Journal of Chemical Physics
|
December 1, 2022
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
Dario A Corvalan, Ofelia B Oña, Diego R Alcoba, et al.
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.
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Search research articles
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Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
September 7, 2013
Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
June 23, 2014
Configuration interaction wave functions: a seniority number approach
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
July 11, 2016
Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatment
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
September 3, 2020
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
Ofelia B Oña, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
May 3, 2019
Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
December 13, 2024
Variance-based wave function optimization within the unrestricted doubly occupied configuration interaction framework: A half-projection treatment
Javier Garcia, Diego R Alcoba, Alicia Torre, et al.
The Journal of Chemical Physics
|
July 8, 2022
Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction framework: Treatments of triplet N-electron systems
Elías Ríos, Diego R Alcoba, Luis Lain, et al.
The Journal of Chemical Physics
|
April 24, 2024
A variance-based optimization for determining ground and excited N-electron wave functions within the doubly occupied configuration interaction scheme
Diego R Alcoba, Ofelia B Oña, Alicia Torre, et al.
The Journal of Chemical Physics
|
December 1, 2022
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
Dario A Corvalan, Ofelia B Oña, Diego R Alcoba, et al.
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.
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of 3