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Leonardo A Cunha

Showing results (1-10 of 14) with videos related to

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Physical Review Letters|March 7, 2025
Photon Many-Body Dispersion: Exchange-Correlation Functional for Strongly Coupled Light-Matter SystemsCankut Tasci, Leonardo A Cunha, Johannes Flick
Journal of Chemical Theory and Computation|August 26, 2025
Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin-Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation TheoryRichard Kang, Leonardo A Cunha, Diptarka Hait, et al.
The Journal of Physical Chemistry Letters|April 12, 2022
Relativistic Orbital-Optimized Density Functional Theory for Accurate Core-Level SpectroscopyLeonardo A Cunha, Diptarka Hait, Richard Kang, et al.
The Journal of Chemical Physics|July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.
Physical Chemistry Chemical Physics : PCCP|July 21, 2018
On the importance of non-covalent interactions for porous membranes: unraveling the role of pore sizeLeonardo A Cunha, Luiz F A Ferrão, Francisco B C Machado, et al.
The Journal of Physical Chemistry Letters|October 10, 2022
Electron-Affinity Time-Dependent Density Functional Theory: Formalism and Applications to Core-Excited StatesKevin Carter-Fenk, Leonardo A Cunha, Juan E Arias-Martinez, et al.
The Journal of Chemical Physics|October 31, 2021
Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductorsJoonho Lee, Xintian Feng, Leonardo A Cunha, et al.
Physical Chemistry Chemical Physics : PCCP|August 25, 2022
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approachJuan E Arias-Martinez, Leonardo A Cunha, Katherine J Oosterbaan, et al.
Journal of Chemical Theory and Computation|May 8, 2023
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional TheoryElliot Rossomme, Leonardo A Cunha, Wanlu Li, et al.
Journal of Molecular Modeling|September 11, 2014
Thermochemical and kinetics studies of the CH3SH+S (3P) hydrogen abstraction and insertion reactionsDaniely V V Cardoso, Leonardo A Cunha, Rene F K Spada, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Physical Review Letters|March 7, 2025
Photon Many-Body Dispersion: Exchange-Correlation Functional for Strongly Coupled Light-Matter SystemsCankut Tasci, Leonardo A Cunha, Johannes Flick
Journal of Chemical Theory and Computation|August 26, 2025
Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin-Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation TheoryRichard Kang, Leonardo A Cunha, Diptarka Hait, et al.
The Journal of Physical Chemistry Letters|April 12, 2022
Relativistic Orbital-Optimized Density Functional Theory for Accurate Core-Level SpectroscopyLeonardo A Cunha, Diptarka Hait, Richard Kang, et al.
The Journal of Chemical Physics|July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.
Physical Chemistry Chemical Physics : PCCP|July 21, 2018
On the importance of non-covalent interactions for porous membranes: unraveling the role of pore sizeLeonardo A Cunha, Luiz F A Ferrão, Francisco B C Machado, et al.
The Journal of Physical Chemistry Letters|October 10, 2022
Electron-Affinity Time-Dependent Density Functional Theory: Formalism and Applications to Core-Excited StatesKevin Carter-Fenk, Leonardo A Cunha, Juan E Arias-Martinez, et al.
The Journal of Chemical Physics|October 31, 2021
Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductorsJoonho Lee, Xintian Feng, Leonardo A Cunha, et al.
Physical Chemistry Chemical Physics : PCCP|August 25, 2022
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approachJuan E Arias-Martinez, Leonardo A Cunha, Katherine J Oosterbaan, et al.
Journal of Chemical Theory and Computation|May 8, 2023
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional TheoryElliot Rossomme, Leonardo A Cunha, Wanlu Li, et al.
Journal of Molecular Modeling|September 11, 2014
Thermochemical and kinetics studies of the CH3SH+S (3P) hydrogen abstraction and insertion reactionsDaniely V V Cardoso, Leonardo A Cunha, Rene F K Spada, et al.
Pageof 2