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Luis Lain

Showing results (21-30 of 48) with videos related to

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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 functionsDiego 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 treatmentJavier Garcia, Diego R Alcoba, Alicia Torre, 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 systemsOfelia B Oña, 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 treatmentDiego R Alcoba, Alicia Torre, Luis Lain, 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 systemsElías 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 schemeDiego 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 spaceDario A Corvalan, Ofelia B Oña, Diego R Alcoba, et al.
The Journal of Physical Chemistry. A|November 16, 2013
Orbital localization criterion as a complementary tool in the bonding analysis by means of electron localization function: study of the Si(n)(BH)(5-n)(2-) (n = 0-5) clustersOfelia B Oña, Diego R Alcoba, Alicia Torre, et al.
The Journal of Chemical Physics|December 21, 2023
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator methodAdán Garros, Diego R Alcoba, Pablo Capuzzi, et al.
The Journal of Chemical Physics|September 22, 2025
Generalized spin in the variational determination of two-electron reduced density matrices within the doubly occupied configuration interaction frameworkTomás R Ayala, Elías Ríos, Ofelia B Oña, et al.
Pageof 5

Showing results (21-30 of 48) with videos related to

Sort By:
Pageof 5
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 functionsDiego 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 treatmentJavier Garcia, Diego R Alcoba, Alicia Torre, 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 systemsOfelia B Oña, 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 treatmentDiego R Alcoba, Alicia Torre, Luis Lain, 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 systemsElías 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 schemeDiego 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 spaceDario A Corvalan, Ofelia B Oña, Diego R Alcoba, et al.
The Journal of Physical Chemistry. A|November 16, 2013
Orbital localization criterion as a complementary tool in the bonding analysis by means of electron localization function: study of the Si(n)(BH)(5-n)(2-) (n = 0-5) clustersOfelia B Oña, Diego R Alcoba, Alicia Torre, et al.
The Journal of Chemical Physics|December 21, 2023
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator methodAdán Garros, Diego R Alcoba, Pablo Capuzzi, et al.
The Journal of Chemical Physics|September 22, 2025
Generalized spin in the variational determination of two-electron reduced density matrices within the doubly occupied configuration interaction frameworkTomás R Ayala, Elías Ríos, Ofelia B Oña, et al.
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