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The Journal of Chemical Physics
|
March 6, 2025
Modeling the Kohn-Sham potential for molecular dissociation with orbital-independent functionals: A proof of principle
Sara Giarrusso, Federica Agostini
Journal of Chemical Theory and Computation
|
August 29, 2023
Møller-Plesset and Density-Fixed Adiabatic Connections for a Model Diatomic System at Different Correlation Regimes
Sara Giarrusso, Aurora Pribram-Jones
The Journal of Chemical Physics
|
August 6, 2022
Comparing correlation components and approximations in Hartree-Fock and Kohn-Sham theories via an analytical test case study
Sara Giarrusso, Aurora Pribram-Jones
The Journal of Chemical Physics
|
April 8, 2025
Excited-state-specific Kohn-Sham formalism for the asymmetric Hubbard dimer
Pierre-François Loos, Sara Giarrusso
The Journal of Physical Chemistry. A
|
March 3, 2020
Exchange-Correlation Energy Densities and Response Potentials: Connection between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond
Sara Giarrusso, Paola Gori-Giorgi
The Journal of Physical Chemistry Letters
|
September 22, 2023
Exact Excited-State Functionals of the Asymmetric Hubbard Dimer
Sara Giarrusso, Pierre-François Loos
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 5, 2024
Electronic Vector Potential from the Exact Factorization of a Complex Wavefunction
Sara Giarrusso, Paola Gori-Giorgi, Federica Agostini
Journal of Chemical Theory and Computation
|
June 16, 2018
Response Potential in the Strong-Interaction Limit of Density Functional Theory: Analysis and Comparison with the Coupling-Constant Average
Sara Giarrusso, Stefan Vuckovic, Paola Gori-Giorgi
The Journal of Chemical Physics
|
September 1, 2022
The AuSc, AuTi, and AuFe molecules: Determination of the bond energies by Knudsen effusion mass spectrometry experiments combined with ab initio calculations
Elena Lucci, Sara Giarrusso, Guido Gigli, et al.
The Journal of Chemical Physics
|
April 9, 2018
Assessment of interaction-strength interpolation formulas for gold and silver clusters
Sara Giarrusso, Paola Gori-Giorgi, Fabio Della Sala, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
March 6, 2025
Modeling the Kohn-Sham potential for molecular dissociation with orbital-independent functionals: A proof of principle
Sara Giarrusso, Federica Agostini
Journal of Chemical Theory and Computation
|
August 29, 2023
Møller-Plesset and Density-Fixed Adiabatic Connections for a Model Diatomic System at Different Correlation Regimes
Sara Giarrusso, Aurora Pribram-Jones
The Journal of Chemical Physics
|
August 6, 2022
Comparing correlation components and approximations in Hartree-Fock and Kohn-Sham theories via an analytical test case study
Sara Giarrusso, Aurora Pribram-Jones
The Journal of Chemical Physics
|
April 8, 2025
Excited-state-specific Kohn-Sham formalism for the asymmetric Hubbard dimer
Pierre-François Loos, Sara Giarrusso
The Journal of Physical Chemistry. A
|
March 3, 2020
Exchange-Correlation Energy Densities and Response Potentials: Connection between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond
Sara Giarrusso, Paola Gori-Giorgi
The Journal of Physical Chemistry Letters
|
September 22, 2023
Exact Excited-State Functionals of the Asymmetric Hubbard Dimer
Sara Giarrusso, Pierre-François Loos
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 5, 2024
Electronic Vector Potential from the Exact Factorization of a Complex Wavefunction
Sara Giarrusso, Paola Gori-Giorgi, Federica Agostini
Journal of Chemical Theory and Computation
|
June 16, 2018
Response Potential in the Strong-Interaction Limit of Density Functional Theory: Analysis and Comparison with the Coupling-Constant Average
Sara Giarrusso, Stefan Vuckovic, Paola Gori-Giorgi
The Journal of Chemical Physics
|
September 1, 2022
The AuSc, AuTi, and AuFe molecules: Determination of the bond energies by Knudsen effusion mass spectrometry experiments combined with ab initio calculations
Elena Lucci, Sara Giarrusso, Guido Gigli, et al.
The Journal of Chemical Physics
|
April 9, 2018
Assessment of interaction-strength interpolation formulas for gold and silver clusters
Sara Giarrusso, Paola Gori-Giorgi, Fabio Della Sala, et al.
Page
of 2